N-benzyl-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methylbenzamide

C28H21ClF2N2O2 — CID 11409234

IUPACN-benzyl-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccccc2)cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1Cl
InChIInChI=1S/C28H21ClF2N2O2/c1-17-7-8-19(28(35)32-16-18-5-3-2-4-6-18)13-23(17)27(34)22-11-10-21(15-24(22)29)33-26-12-9-20(30)14-25(26)31/h2-15,33H,16H2,1H3,(H,32,35)
InChIKeyGHMCXZLCSZYOTP-UHFFFAOYSA-N
MW490.94 g/mol
LogP6.83
Rot. Bonds7

About N-benzyl-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methylbenzamide

N-benzyl-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methylbenzamide (PubChem CID 11409234) has the molecular formula C28H21ClF2N2O2 and a molecular weight of 490.94 g/mol. Its IUPAC name is N-benzyl-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methylbenzamide
PubChem CID11409234
Molecular FormulaC28H21ClF2N2O2
Molecular Weight490.94 g/mol
Exact Mass490.13
IUPAC NameN-benzyl-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccccc2)cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1Cl
InChIInChI=1S/C28H21ClF2N2O2/c1-17-7-8-19(28(35)32-16-18-5-3-2-4-6-18)13-23(17)27(34)22-11-10-21(15-24(22)29)33-26-12-9-20(30)14-25(26)31/h2-15,33H,16H2,1H3,(H,32,35)
InChIKeyGHMCXZLCSZYOTP-UHFFFAOYSA-N
XLogP6.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.94
LogP ≤ 56.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methyl-N-phenylbenzamide
CID 141106486
3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-N-(1-hydroxybutan-2-yl)-4-methylbenzamide
CID 58677675
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-[4-(2,4-difluoroanilino)benzoyl]-N-(2-fluoroethyl)-4-methylbenzamide
CID 58677526
N-(2-amino-2-oxoethyl)-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methoxybenzamide
CID 11465633
[4-[[3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methylbenzoyl]amino]thiophen-3-yl] methyl carbonate
CID 67457451
3-[2-chloro-4-(3-fluoro-2-methylanilino)benzoyl]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 58677587
3-[2-chloro-4-(3-fluoro-2-methylanilino)benzoyl]-4-methylbenzoic acid
CID 58677585
2-[4-[3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methylphenyl]triazol-1-yl]acetic acid
CID 11496723
1-[3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methylphenyl]-3-cyclohexylurea
CID 11167908
[2-chloro-4-(2,4-difluoroanilino)phenyl]-[5-[4-(hydroxymethyl)triazol-1-yl]-2-methylphenyl]methanone
CID 11633875

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methylbenzamide?
The IUPAC name of N-benzyl-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methylbenzamide (CID 11409234) is N-benzyl-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methylbenzamide.
What is the SMILES notation for N-benzyl-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methylbenzamide?
The canonical SMILES for N-benzyl-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methylbenzamide is Cc1ccc(C(=O)NCc2ccccc2)cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1Cl.
What is the InChIKey of N-benzyl-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methylbenzamide?
The InChIKey is GHMCXZLCSZYOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClF2N2O2/c1-17-7-8-19(28(35)32-16-18-5-3-2-4-6-18)13-23(17)27(34)22-11-10-21(15-24(22)29)33-26-12-9-20(30)14-25(26)31/h2-15,33H,16H2,1H3,(H,32,35).
What are the key properties of N-benzyl-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methylbenzamide?
N-benzyl-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methylbenzamide has a molecular weight of 490.94 g/mol, XLogP of 6.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methylbenzamide is sourced from PubChem (CID 11409234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).