3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methyl-N-phenylbenzamide

C27H19ClF2N2O2 — CID 141106486

IUPAC3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methyl-N-phenylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2)cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1Cl
InChIInChI=1S/C27H19ClF2N2O2/c1-16-7-8-17(27(34)32-19-5-3-2-4-6-19)13-22(16)26(33)21-11-10-20(15-23(21)28)31-25-12-9-18(29)14-24(25)30/h2-15,31H,1H3,(H,32,34)
InChIKeyJVNAZRJUMQAXPN-UHFFFAOYSA-N
MW476.91 g/mol
LogP7.15
Rot. Bonds6

About 3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methyl-N-phenylbenzamide

3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methyl-N-phenylbenzamide (PubChem CID 141106486) has the molecular formula C27H19ClF2N2O2 and a molecular weight of 476.91 g/mol. Its IUPAC name is 3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methyl-N-phenylbenzamide
PubChem CID141106486
Molecular FormulaC27H19ClF2N2O2
Molecular Weight476.91 g/mol
Exact Mass476.11
IUPAC Name3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methyl-N-phenylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2)cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1Cl
InChIInChI=1S/C27H19ClF2N2O2/c1-16-7-8-17(27(34)32-19-5-3-2-4-6-19)13-22(16)26(33)21-11-10-20(15-23(21)28)31-25-12-9-18(29)14-24(25)30/h2-15,31H,1H3,(H,32,34)
InChIKeyJVNAZRJUMQAXPN-UHFFFAOYSA-N
XLogP7.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.91
LogP ≤ 57.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methylbenzamide
CID 11409234
3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-N-(1-hydroxybutan-2-yl)-4-methylbenzamide
CID 58677675
[4-[[3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methylbenzoyl]amino]thiophen-3-yl] methyl carbonate
CID 67457451
3-[2-chloro-4-(4-chloro-2-fluoroanilino)benzoyl]-4-methylbenzoyl chloride
CID 87352750
4-chloro-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-N-(2-hydroxyethyl)benzamide
CID 58677556
[5-[(Z)-1-amino-2-(2-hydroxyethylamino)ethenyl]-2-methylphenyl]-[2-chloro-4-(2,4-difluoroanilino)phenyl]methanone
CID 143241599
3-[2-chloro-4-(3-fluoro-2-methylanilino)benzoyl]-4-methylbenzoic acid
CID 58677585
1-[3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methylphenyl]-3-cyclohexylurea
CID 11167908
3-[2-chloro-4-(3-fluoro-2-methylanilino)benzoyl]-4-methylbenzoyl chloride
CID 87352464
N-(2-amino-2-oxoethyl)-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methoxybenzamide
CID 11465633
3-[4-(2,4-difluoroanilino)benzoyl]-N-(2-fluoroethyl)-4-methylbenzamide
CID 58677526
3-[2-chloro-4-(3-fluoro-2-methylanilino)benzoyl]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 58677587

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methyl-N-phenylbenzamide?
The IUPAC name of 3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methyl-N-phenylbenzamide (CID 141106486) is 3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methyl-N-phenylbenzamide.
What is the SMILES notation for 3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methyl-N-phenylbenzamide?
The canonical SMILES for 3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methyl-N-phenylbenzamide is Cc1ccc(C(=O)Nc2ccccc2)cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1Cl.
What is the InChIKey of 3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methyl-N-phenylbenzamide?
The InChIKey is JVNAZRJUMQAXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19ClF2N2O2/c1-16-7-8-17(27(34)32-19-5-3-2-4-6-19)13-22(16)26(33)21-11-10-20(15-23(21)28)31-25-12-9-18(29)14-24(25)30/h2-15,31H,1H3,(H,32,34).
What are the key properties of 3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methyl-N-phenylbenzamide?
3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methyl-N-phenylbenzamide has a molecular weight of 476.91 g/mol, XLogP of 7.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methyl-N-phenylbenzamide is sourced from PubChem (CID 141106486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).