AG00II2A

943320-50-1 | 3-Iodo-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide

AG00II2A

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CAS Number	943320-50-1
Catalog Number	AG00II2A(AGN-PC-0WCXGZ)
Chemical Name	3-Iodo-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide
IUPAC Name	3-iodo-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
InChI	InChI=1S/C21H23F3IN3O/c1-14-3-4-15(11-19(14)25)20(29)26-17-6-5-16(18(12-17)21(22,23)24)13-28-9-7-27(2)8-10-28/h3-6,11-12H,7-10,13H2,1-2H3,(H,26,29)
InChI Key	GQJNOOSFYQAIMI-UHFFFAOYSA-N
MDL Number	MFCD22572796
Molecular Formula	C21H23F3IN3O
Molecular Weight	517.3265
SMILES	O=C(NC1=CC=C(CN2CCN(C)CC2)C(C(F)(F)F)=C1)C3=CC=C(C)C(I)=C3
Synonyms	943320-50-1, 3-iodo-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide, SCHEMBL588975, CHEMBL4079252, GQJNOOSFYQAIMI-UHFFFAOYSA-N, BCP15243, CS-D0230, MFCD22572796, ZINC95938056, 3-iodo-4-methyl-N-[4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]Benzamide, AK173033, AS-48249, 3-Iodo-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl) phenyl)benzamide, 3-iodo-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl) benzamide, 3-iodo-4-methyl-N-[4-(4-methyl-piperazin-1-ylmethyl)-3-trifluoromethyl-phenyl]-benzamide, 3-iodo-4-methyl-N-[4-(4-methylpiperazin-1-ylmethyl)-3-trifluoromethylphenyl]benzamide, N-[3-(Trifluoromethyl)-4-[(4-methylpiperazino)methyl]phenyl]-3-iodo-4-methylbenzamide, Benzamide,3-iodo-4-methyl-N-[4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-, 3-IODO-4-METHYL-N-{4-[(4-METHYLPIPERAZIN-1-YL)METHYL]-3-(TRIFLUOROMETHYL)PHENYL}BENZAMIDE, BenzaMide, 3-iodo-4-Methyl-N-[4-[(4-Methyl-1-piperazinyl)Methyl]-3-(trifluoroMethyl)phenyl]-,

Complexity	554
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	517.084g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	517.335g/mol
Monoisotopic Mass	517.084g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	35.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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