4-[(2-benzamido-5-chlorobenzoyl)amino]benzoic acid

C21H15ClN2O4 — CID 22672074

IUPAC4-[(2-benzamido-5-chlorobenzoyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H15ClN2O4/c22-15-8-11-18(24-19(25)13-4-2-1-3-5-13)17(12-15)20(26)23-16-9-6-14(7-10-16)21(27)28/h1-12H,(H,23,26)(H,24,25)(H,27,28)
InChIKeyNPLYHTKKPWMPBB-UHFFFAOYSA-N
MW394.81 g/mol
LogP4.54
Rot. Bonds5

About 4-[(2-benzamido-5-chlorobenzoyl)amino]benzoic acid

4-[(2-benzamido-5-chlorobenzoyl)amino]benzoic acid (PubChem CID 22672074) has the molecular formula C21H15ClN2O4 and a molecular weight of 394.81 g/mol. Its IUPAC name is 4-[(2-benzamido-5-chlorobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(2-benzamido-5-chlorobenzoyl)amino]benzoic acid
PubChem CID22672074
Molecular FormulaC21H15ClN2O4
Molecular Weight394.81 g/mol
Exact Mass394.07
IUPAC Name4-[(2-benzamido-5-chlorobenzoyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H15ClN2O4/c22-15-8-11-18(24-19(25)13-4-2-1-3-5-13)17(12-15)20(26)23-16-9-6-14(7-10-16)21(27)28/h1-12H,(H,23,26)(H,24,25)(H,27,28)
InChIKeyNPLYHTKKPWMPBB-UHFFFAOYSA-N
XLogP4.54
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.81
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-[[4-(propanoylamino)benzoyl]amino]benzoic acid
CID 888716
N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1100705
4-[[5-chloro-2-[(3-chlorophenyl)methylamino]benzoyl]amino]benzoic acid
CID 59047862
2-benzoyl-N-[4-[(4-chloro-2-methylphenyl)carbamoyl]phenyl]benzamide
CID 23935500
2-[(4-aminobenzoyl)amino]-5-chlorobenzoic acid
CID 61158573
2-[(4-bromobenzoyl)amino]-5-chlorobenzoic acid
CID 9320346
N-(4-chlorophenyl)benzamide;hydrochloride
CID 139912610
N-(4-benzamido-3-methylphenyl)-4-chlorobenzamide
CID 1365594
5-chloro-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid
CID 45433715
3-[[5-chloro-2-(phenoxyamino)benzoyl]amino]benzoic acid;sulfur monoxide
CID 158898396
2-chloro-N-(4-chlorophenyl)benzamide;4-chloro-N-(4-chlorophenyl)benzamide
CID 159735192
N-(2-benzoyl-4-chlorophenyl)-4-(dimethylamino)benzamide
CID 3539532

Frequently Asked Questions

What is the IUPAC name of 4-[(2-benzamido-5-chlorobenzoyl)amino]benzoic acid?
The IUPAC name of 4-[(2-benzamido-5-chlorobenzoyl)amino]benzoic acid (CID 22672074) is 4-[(2-benzamido-5-chlorobenzoyl)amino]benzoic acid.
What is the SMILES notation for 4-[(2-benzamido-5-chlorobenzoyl)amino]benzoic acid?
The canonical SMILES for 4-[(2-benzamido-5-chlorobenzoyl)amino]benzoic acid is O=C(O)c1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccccc2)cc1.
What is the InChIKey of 4-[(2-benzamido-5-chlorobenzoyl)amino]benzoic acid?
The InChIKey is NPLYHTKKPWMPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O4/c22-15-8-11-18(24-19(25)13-4-2-1-3-5-13)17(12-15)20(26)23-16-9-6-14(7-10-16)21(27)28/h1-12H,(H,23,26)(H,24,25)(H,27,28).
What are the key properties of 4-[(2-benzamido-5-chlorobenzoyl)amino]benzoic acid?
4-[(2-benzamido-5-chlorobenzoyl)amino]benzoic acid has a molecular weight of 394.81 g/mol, XLogP of 4.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-benzamido-5-chlorobenzoyl)amino]benzoic acid is sourced from PubChem (CID 22672074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).