4-[[2-chloro-5-(3-chlorophenyl)benzoyl]amino]-3-methylbenzoic acid

C21H15Cl2NO3 — CID 78319441

IUPAC4-[[2-chloro-5-(3-chlorophenyl)benzoyl]amino]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1NC(=O)c1cc(-c2cccc(Cl)c2)ccc1Cl
InChIInChI=1S/C21H15Cl2NO3/c1-12-9-15(21(26)27)6-8-19(12)24-20(25)17-11-14(5-7-18(17)23)13-3-2-4-16(22)10-13/h2-11H,1H3,(H,24,25)(H,26,27)
InChIKeyYQUMDNXCTRVATM-UHFFFAOYSA-N
MW400.26 g/mol
LogP5.92
Rot. Bonds4

About 4-[[2-chloro-5-(3-chlorophenyl)benzoyl]amino]-3-methylbenzoic acid

4-[[2-chloro-5-(3-chlorophenyl)benzoyl]amino]-3-methylbenzoic acid (PubChem CID 78319441) has the molecular formula C21H15Cl2NO3 and a molecular weight of 400.26 g/mol. Its IUPAC name is 4-[[2-chloro-5-(3-chlorophenyl)benzoyl]amino]-3-methylbenzoic acid.

Molecular Properties

Compound Name4-[[2-chloro-5-(3-chlorophenyl)benzoyl]amino]-3-methylbenzoic acid
PubChem CID78319441
Molecular FormulaC21H15Cl2NO3
Molecular Weight400.26 g/mol
Exact Mass399.04
IUPAC Name4-[[2-chloro-5-(3-chlorophenyl)benzoyl]amino]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1NC(=O)c1cc(-c2cccc(Cl)c2)ccc1Cl
InChIInChI=1S/C21H15Cl2NO3/c1-12-9-15(21(26)27)6-8-19(12)24-20(25)17-11-14(5-7-18(17)23)13-3-2-4-16(22)10-13/h2-11H,1H3,(H,24,25)(H,26,27)
InChIKeyYQUMDNXCTRVATM-UHFFFAOYSA-N
XLogP5.92
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.26
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[5-(3-chlorophenyl)-2-methylbenzoyl]amino]-4-methylbenzoic acid
CID 78319505
4-[(2-chloro-5-hydroxybenzoyl)amino]-3-methylbenzoic acid
CID 106500177
4-[[5-(3-chlorophenyl)-2-methylbenzoyl]amino]-3,5-dimethylbenzoic acid
CID 78319440
N-(4-chloro-2-methylphenyl)-4-phenylbenzamide
CID 19174130
4-[(4-chloropyridine-3-carbonyl)amino]-3-methylbenzoic acid
CID 81226642
2-chloro-N-[4-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 2313060
4-[(3-bromo-4-chlorobenzoyl)amino]-3-methylbenzoic acid
CID 107997716
3-methyl-4-[(4-methylbenzoyl)amino]benzoic acid
CID 16777399
4-[(6-chloropyridine-2-carbonyl)amino]-3-methylbenzoic acid
CID 62239229
4-[(2,6-dihydroxybenzoyl)amino]-3-methylbenzoic acid
CID 107687790
2-[(2,4-dichlorobenzoyl)amino]-5-(3-phenylphenyl)benzoic acid
CID 10183146
N-(4-chloro-2-methylphenyl)-2,4,5-trimethylbenzamide
CID 100708233

Frequently Asked Questions

What is the IUPAC name of 4-[[2-chloro-5-(3-chlorophenyl)benzoyl]amino]-3-methylbenzoic acid?
The IUPAC name of 4-[[2-chloro-5-(3-chlorophenyl)benzoyl]amino]-3-methylbenzoic acid (CID 78319441) is 4-[[2-chloro-5-(3-chlorophenyl)benzoyl]amino]-3-methylbenzoic acid.
What is the SMILES notation for 4-[[2-chloro-5-(3-chlorophenyl)benzoyl]amino]-3-methylbenzoic acid?
The canonical SMILES for 4-[[2-chloro-5-(3-chlorophenyl)benzoyl]amino]-3-methylbenzoic acid is Cc1cc(C(=O)O)ccc1NC(=O)c1cc(-c2cccc(Cl)c2)ccc1Cl.
What is the InChIKey of 4-[[2-chloro-5-(3-chlorophenyl)benzoyl]amino]-3-methylbenzoic acid?
The InChIKey is YQUMDNXCTRVATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2NO3/c1-12-9-15(21(26)27)6-8-19(12)24-20(25)17-11-14(5-7-18(17)23)13-3-2-4-16(22)10-13/h2-11H,1H3,(H,24,25)(H,26,27).
What are the key properties of 4-[[2-chloro-5-(3-chlorophenyl)benzoyl]amino]-3-methylbenzoic acid?
4-[[2-chloro-5-(3-chlorophenyl)benzoyl]amino]-3-methylbenzoic acid has a molecular weight of 400.26 g/mol, XLogP of 5.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-chloro-5-(3-chlorophenyl)benzoyl]amino]-3-methylbenzoic acid is sourced from PubChem (CID 78319441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).