AG0029CB

204205-90-3 | 1H-Indole-3-acetamide, 1-[(4-chlorophenyl)methyl]-α-oxo-N-4-pyridinyl-

AG0029CB

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CAS Number	204205-90-3
Catalog Number	AG0029CB(AGN-PC-0JK6E0)
Chemical Name	1H-Indole-3-acetamide, 1-[(4-chlorophenyl)methyl]-α-oxo-N-4-pyridinyl-
IUPAC Name	2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
InChI	InChI=1S/C22H16ClN3O2/c23-16-7-5-15(6-8-16)13-26-14-19(18-3-1-2-4-20(18)26)21(27)22(28)25-17-9-11-24-12-10-17/h1-12,14H,13H2,(H,24,25,28)
InChI Key	SOLIIYNRSAWTSQ-UHFFFAOYSA-N
MDL Number	MFCD05861105
Molecular Formula	C22H16ClN3O2
Molecular Weight	389.8343
SMILES	O=C(NC1=CC=NC=C1)C(C2=CN(CC3=CC=C(Cl)C=C3)C4=C2C=CC=C4)=O
UNII	80K4H2RB8P
Synonyms	D 24851, D-24851, indibulin, N-(pyridin-4-yl)-(1-(4-chlorobenzyl)indol-3-yl)glycoxylamide, N-(pyridin-4-yl)-(1-(4-chlorobenzyl)indol-3-yl)glyoxylamide, Indibulin, 204205-90-3, 2-(1-(4-chlorobenzyl)-1H-indol-3-yl)-2-oxo-N-(pyridin-4-yl)acetamide, d-24851, UNII-80K4H2RB8P, 80K4H2RB8P, ZIO-301, D 24851, 2-[1-(4-chlorobenzyl)-1h-indol-3-yl]-2-oxo-n-(pyridin-4-yl)acetamide, N-(Pyridin-4-yl)-[1-(4-chlorobenzyl)-indol-3-yl]-glyoxyl Amide, 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide, Indibulin [USAN:INN], 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxo-N-(4-pyridyl)acetamide, 2-{1-[(4-chlorophenyl)methyl]indol-3-yl}-2-oxo-N-(4-pyridyl)acetamide, 1H-Indole-3-acetamide, 1-((4-chlorophenyl)methyl)-alpha-oxo-N-4-pyridinyl-, 1H-Indole-3-acetamide, 1-[(4-chlorophenyl)methyl]-alpha-oxo-N-4-pyridinyl-, Indibulin (USAN/INN), AC1L1ESK, AC1Q5NS8, MLS006011745, CHEMBL49642, SCHEMBL3165856, CTK8E8280, DTXSID70174368, QCR-111, SOLIIYNRSAWTSQ-UHFFFAOYSA-N, ZERO/005632, IN1366, SBB013544, STK783524, ZINC37866151, AKOS005619980, AN-3573, API0002198, MCULE-2626264660, SB16543, NCGC00160428-01, NCGC00160428-02, AJ-94323, LS-82075, SC-84469, SMR004703467, AX8251733, RT-013331, FT-0745397, D10013, SR-01000883991, J-013299, SR-01000883991-1, 2-[1-(4-CHLOROBENZYL)-1H-INDOL-3-YL]-2-OXO-N-(4-PY, 2-[1-(4-Chlorobenzyl)-1H-indol-3-yl]-2-oxo-N-(4-pyridinyl)acetamide, 2-[1-(4-chlorobenzyl)-1h-indol-3-yl]-2-oxo-n-pyridin-4-ylacetamide, 1H-Indole-3-acetamide, 1-[(4-chlorophenyl)methyl]-.alpha.-oxo-N-(4-pyridinyl)-, 2-(1-(4-Chlorophenylmethyl)-1H-indol-3-yl)-2-oxo-N-(pyridin-4-yl)acetamide, Indibulin [INN], D04NXL, 2-(1- -2-oxo-N- acetamide, CID2929, AR-1D6412, 20850-49-1,

Complexity	558
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	389.093g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	389.839g/mol
Monoisotopic Mass	389.093g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	64A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number