2-chloro-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]-N-phenylbenzamide

C28H23ClN2O2 — CID 22010862

IUPAC2-chloro-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]-N-phenylbenzamide
SMILESCc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N(C)c3ccccc3)c(Cl)c2)cc1
InChIInChI=1S/C28H23ClN2O2/c1-19-12-14-20(15-13-19)23-10-6-7-11-24(23)27(32)30-21-16-17-25(26(29)18-21)28(33)31(2)22-8-4-3-5-9-22/h3-18H,1-2H3,(H,30,32)
InChIKeyADMZJOIFPMSQCM-UHFFFAOYSA-N
MW454.96 g/mol
LogP6.84
Rot. Bonds5

About 2-chloro-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]-N-phenylbenzamide

2-chloro-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]-N-phenylbenzamide (PubChem CID 22010862) has the molecular formula C28H23ClN2O2 and a molecular weight of 454.96 g/mol. Its IUPAC name is 2-chloro-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-chloro-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]-N-phenylbenzamide
PubChem CID22010862
Molecular FormulaC28H23ClN2O2
Molecular Weight454.96 g/mol
Exact Mass454.14
IUPAC Name2-chloro-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]-N-phenylbenzamide
SMILESCc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N(C)c3ccccc3)c(Cl)c2)cc1
InChIInChI=1S/C28H23ClN2O2/c1-19-12-14-20(15-13-19)23-10-6-7-11-24(23)27(32)30-21-16-17-25(26(29)18-21)28(33)31(2)22-8-4-3-5-9-22/h3-18H,1-2H3,(H,30,32)
InChIKeyADMZJOIFPMSQCM-UHFFFAOYSA-N
XLogP6.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.96
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(4-chlorophenyl)-methylcarbamoyl]phenyl]-2-(4-methylphenyl)benzamide
CID 22010622
2-chloro-N-methyl-N-phenyl-4-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]benzamide
CID 91758483
N-[4-[(2-hydroxy-5-methylphenyl)-methylcarbamoyl]phenyl]-2-(4-methylphenyl)benzamide
CID 22010705
2-chloro-4-[[methyl(phenyl)carbamoyl]amino]benzoic acid
CID 61398621
3-[[2-(4-methylphenyl)benzoyl]amino]benzoic acid;hydrochloride
CID 70145450
N-[3-[ethyl(methyl)amino]phenyl]-2-phenylbenzamide
CID 47089077
2-(4-chlorophenyl)-N-phenylbenzamide
CID 102340259
N-[4-(ethylamino)phenyl]-2-(4-methylphenyl)benzamide
CID 141052756
5-methyl-2-(4-methylphenyl)-N-phenylbenzamide
CID 173213744
4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide
CID 43910172
1-(2-chloro-4-methylphenyl)-2-(2-phenylphenyl)ethane-1,2-dione
CID 126202988
3-chloro-N-methyl-N-phenylpyridine-4-carboxamide
CID 66463019

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]-N-phenylbenzamide?
The IUPAC name of 2-chloro-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]-N-phenylbenzamide (CID 22010862) is 2-chloro-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]-N-phenylbenzamide.
What is the SMILES notation for 2-chloro-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]-N-phenylbenzamide?
The canonical SMILES for 2-chloro-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]-N-phenylbenzamide is Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N(C)c3ccccc3)c(Cl)c2)cc1.
What is the InChIKey of 2-chloro-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]-N-phenylbenzamide?
The InChIKey is ADMZJOIFPMSQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClN2O2/c1-19-12-14-20(15-13-19)23-10-6-7-11-24(23)27(32)30-21-16-17-25(26(29)18-21)28(33)31(2)22-8-4-3-5-9-22/h3-18H,1-2H3,(H,30,32).
What are the key properties of 2-chloro-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]-N-phenylbenzamide?
2-chloro-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]-N-phenylbenzamide has a molecular weight of 454.96 g/mol, XLogP of 6.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 22010862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).