2-chloro-4-(4-chloro-2-fluoroanilino)-N-cyclohexyl-N-(4-methylbenzoyl)benzamide

C27H25Cl2FN2O2 — CID 91301897

IUPAC2-chloro-4-(4-chloro-2-fluoroanilino)-N-cyclohexyl-N-(4-methylbenzoyl)benzamide
SMILESCc1ccc(C(=O)N(C(=O)c2ccc(Nc3ccc(Cl)cc3F)cc2Cl)C2CCCCC2)cc1
InChIInChI=1S/C27H25Cl2FN2O2/c1-17-7-9-18(10-8-17)26(33)32(21-5-3-2-4-6-21)27(34)22-13-12-20(16-23(22)29)31-25-14-11-19(28)15-24(25)30/h7-16,21,31H,2-6H2,1H3
InChIKeyGLZVMDALWBVRSU-UHFFFAOYSA-N
MW499.41 g/mol
LogP7.80
Rot. Bonds5

About 2-chloro-4-(4-chloro-2-fluoroanilino)-N-cyclohexyl-N-(4-methylbenzoyl)benzamide

2-chloro-4-(4-chloro-2-fluoroanilino)-N-cyclohexyl-N-(4-methylbenzoyl)benzamide (PubChem CID 91301897) has the molecular formula C27H25Cl2FN2O2 and a molecular weight of 499.41 g/mol. Its IUPAC name is 2-chloro-4-(4-chloro-2-fluoroanilino)-N-cyclohexyl-N-(4-methylbenzoyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-(4-chloro-2-fluoroanilino)-N-cyclohexyl-N-(4-methylbenzoyl)benzamide
PubChem CID91301897
Molecular FormulaC27H25Cl2FN2O2
Molecular Weight499.41 g/mol
Exact Mass498.13
IUPAC Name2-chloro-4-(4-chloro-2-fluoroanilino)-N-cyclohexyl-N-(4-methylbenzoyl)benzamide
SMILESCc1ccc(C(=O)N(C(=O)c2ccc(Nc3ccc(Cl)cc3F)cc2Cl)C2CCCCC2)cc1
InChIInChI=1S/C27H25Cl2FN2O2/c1-17-7-9-18(10-8-17)26(33)32(21-5-3-2-4-6-21)27(34)22-13-12-20(16-23(22)29)31-25-14-11-19(28)15-24(25)30/h7-16,21,31H,2-6H2,1H3
InChIKeyGLZVMDALWBVRSU-UHFFFAOYSA-N
XLogP7.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.41
LogP ≤ 57.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-(2,4-difluoroanilino)-N-(4-methylbenzoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 90959874
3-[2-chloro-4-(4-chloro-2-fluoroanilino)benzoyl]-4-methylbenzoyl chloride
CID 87352750
1-[3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methylphenyl]-3-cyclohexylurea
CID 11167908
4-chloro-N-cycloheptyl-2-fluoro-N-methylbenzamide
CID 112805278
4-(3-chloro-4-fluoroanilino)-3-fluorobenzoic acid
CID 55108022
2-(3-chloro-4-fluoroanilino)-5-methylbenzoic acid
CID 63537148
3-fluoro-4-(4-methylanilino)benzoic acid
CID 82294597
2-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-4-methylbenzamide
CID 106509715
N-cyclohexyl-2-fluoro-N,5-dimethylbenzamide
CID 62510377
4-chloro-N-cycloheptyl-2-fluorobenzamide
CID 26002204
4-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]amino]-2-chloro-N-cyclohexyl-N-methylbenzamide
CID 55918446
4-[[4-(aminomethyl)benzoyl]amino]-2-chloro-N-cyclohexyl-N-methylbenzamide;hydrochloride
CID 119286321

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-chloro-2-fluoroanilino)-N-cyclohexyl-N-(4-methylbenzoyl)benzamide?
The IUPAC name of 2-chloro-4-(4-chloro-2-fluoroanilino)-N-cyclohexyl-N-(4-methylbenzoyl)benzamide (CID 91301897) is 2-chloro-4-(4-chloro-2-fluoroanilino)-N-cyclohexyl-N-(4-methylbenzoyl)benzamide.
What is the SMILES notation for 2-chloro-4-(4-chloro-2-fluoroanilino)-N-cyclohexyl-N-(4-methylbenzoyl)benzamide?
The canonical SMILES for 2-chloro-4-(4-chloro-2-fluoroanilino)-N-cyclohexyl-N-(4-methylbenzoyl)benzamide is Cc1ccc(C(=O)N(C(=O)c2ccc(Nc3ccc(Cl)cc3F)cc2Cl)C2CCCCC2)cc1.
What is the InChIKey of 2-chloro-4-(4-chloro-2-fluoroanilino)-N-cyclohexyl-N-(4-methylbenzoyl)benzamide?
The InChIKey is GLZVMDALWBVRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25Cl2FN2O2/c1-17-7-9-18(10-8-17)26(33)32(21-5-3-2-4-6-21)27(34)22-13-12-20(16-23(22)29)31-25-14-11-19(28)15-24(25)30/h7-16,21,31H,2-6H2,1H3.
What are the key properties of 2-chloro-4-(4-chloro-2-fluoroanilino)-N-cyclohexyl-N-(4-methylbenzoyl)benzamide?
2-chloro-4-(4-chloro-2-fluoroanilino)-N-cyclohexyl-N-(4-methylbenzoyl)benzamide has a molecular weight of 499.41 g/mol, XLogP of 7.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-chloro-2-fluoroanilino)-N-cyclohexyl-N-(4-methylbenzoyl)benzamide is sourced from PubChem (CID 91301897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).