2-chloro-N-[4-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide

C28H22Cl2N2O2 — CID 2313060

IUPAC2-chloro-N-[4-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
SMILESCc1cc(-c2ccc(NC(=O)c3ccccc3Cl)c(C)c2)ccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C28H22Cl2N2O2/c1-17-15-19(11-13-25(17)31-27(33)21-7-3-5-9-23(21)29)20-12-14-26(18(2)16-20)32-28(34)22-8-4-6-10-24(22)30/h3-16H,1-2H3,(H,31,33)(H,32,34)
InChIKeyICQBPIUHODJJID-UHFFFAOYSA-N
MW489.40 g/mol
LogP7.78
Rot. Bonds5

About 2-chloro-N-[4-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide

2-chloro-N-[4-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide (PubChem CID 2313060) has the molecular formula C28H22Cl2N2O2 and a molecular weight of 489.40 g/mol. Its IUPAC name is 2-chloro-N-[4-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
PubChem CID2313060
Molecular FormulaC28H22Cl2N2O2
Molecular Weight489.40 g/mol
Exact Mass488.11
IUPAC Name2-chloro-N-[4-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
SMILESCc1cc(-c2ccc(NC(=O)c3ccccc3Cl)c(C)c2)ccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C28H22Cl2N2O2/c1-17-15-19(11-13-25(17)31-27(33)21-7-3-5-9-23(21)29)20-12-14-26(18(2)16-20)32-28(34)22-8-4-6-10-24(22)30/h3-16H,1-2H3,(H,31,33)(H,32,34)
InChIKeyICQBPIUHODJJID-UHFFFAOYSA-N
XLogP7.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.40
LogP ≤ 57.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-[4-[(2-carboxylatobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]carbamoyl]benzoate
CID 6962175
4-[(2-chlorobenzoyl)amino]-N,3-dimethylbenzamide
CID 131930892
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chlorobenzamide
CID 46785977
2-chloro-N-[4-[(4-chlorobenzoyl)amino]-2-methylphenyl]benzamide
CID 3135769
2-ethoxy-N-[4-[4-[(2-ethoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4556792
2-amino-3-chloro-N-(4-chloro-2-methylphenyl)benzamide
CID 82546494
N-(4-amino-2-chlorophenyl)-2-chlorobenzamide
CID 960633
1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide
CID 2811694
N-(2-chloro-4-methylphenyl)-2-methylbenzamide
CID 2540447
2-chloro-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 6468797
3-(2-chlorophenyl)-N-[4-[4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3-methylphenyl]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4521302
N-(4-amino-5-methoxy-2-methylphenyl)-2-chlorobenzamide
CID 70635725

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide?
The IUPAC name of 2-chloro-N-[4-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide (CID 2313060) is 2-chloro-N-[4-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide is Cc1cc(-c2ccc(NC(=O)c3ccccc3Cl)c(C)c2)ccc1NC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[4-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide?
The InChIKey is ICQBPIUHODJJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22Cl2N2O2/c1-17-15-19(11-13-25(17)31-27(33)21-7-3-5-9-23(21)29)20-12-14-26(18(2)16-20)32-28(34)22-8-4-6-10-24(22)30/h3-16H,1-2H3,(H,31,33)(H,32,34).
What are the key properties of 2-chloro-N-[4-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide?
2-chloro-N-[4-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide has a molecular weight of 489.40 g/mol, XLogP of 7.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide is sourced from PubChem (CID 2313060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).