AG008SRL

Name: CCG-100602
Brand: Angene Chemical
SKU: AG008SRL

1207113-88-9 | CCG-100602

AG008SRL

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CAS Number	1207113-88-9
Catalog Number	AG008SRL
Chemical Name	CCG-100602
IUPAC Name	1-[3,5-bis(trifluoromethyl)benzoyl]-N-(4-chlorophenyl)piperidine-3-carboxamide
InChI	InChI=1S/C21H17ClF6N2O2/c22-16-3-5-17(6-4-16)29-18(31)12-2-1-7-30(11-12)19(32)13-8-14(20(23,24)25)10-15(9-13)21(26,27)28/h3-6,8-10,12H,1-2,7,11H2,(H,29,31)
InChI Key	MOQCFMZWVKQBAP-UHFFFAOYSA-N
MDL Number	MFCD04039820
Molecular Formula	C21H17ClF6N2O2
Molecular Weight	478.8153
SMILES	O=C(C=1C=C(C=C(C1)C(F)(F)F)C(F)(F)F)N2CCCC(C(=O)NC3=CC=C(Cl)C=C3)C2
Synonyms	1-(3,5-bis(trifluoromethyl)benzoyl)-N-(4-chlorophenyl)-3-piperidinecarboxamide, CCG-100602, CCG-100602, CHEMBL603141, compound 4g [PMID: 19963382], CCG100602, CCG 100602, 1207113-88-9, GTPL6764, SCHEMBL1534209, MOQCFMZWVKQBAP-UHFFFAOYSA-N, BDBM50436237, [3,5-bis(trifluoromethyl)benzoyl]-N-(4-chlorophenyl)piperidine-3-carboxamide, 1-(3,5-bis(trifluoromethyl)benzoyl)-N-(4-chlorophenyl)piperidine-3-carboxamide, D0Y9BU,

Complexity	656
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	478.088g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	478.819g/mol
Monoisotopic Mass	478.088g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	49.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	5.1

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited