4-[[2-[(2-chlorobenzoyl)amino]benzoyl]amino]benzoic acid

C21H15ClN2O4 — CID 1364583

IUPAC4-[[2-[(2-chlorobenzoyl)amino]benzoyl]amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C21H15ClN2O4/c22-17-7-3-1-5-15(17)19(25)24-18-8-4-2-6-16(18)20(26)23-14-11-9-13(10-12-14)21(27)28/h1-12H,(H,23,26)(H,24,25)(H,27,28)
InChIKeyHMSKCPQZCPNPSC-UHFFFAOYSA-N
MW394.81 g/mol
LogP4.54
Rot. Bonds5

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

4-[[2-[(2-chlorobenzoyl)amino]benzoyl]amino]benzoic acid (PubChem CID 1364583) has the molecular formula C21H15ClN2O4 and a molecular weight of 394.81 g/mol. Its IUPAC name is 4-[[2-[(2-chlorobenzoyl)amino]benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[2-[(2-chlorobenzoyl)amino]benzoyl]amino]benzoic acid
PubChem CID1364583
Molecular FormulaC21H15ClN2O4
Molecular Weight394.81 g/mol
Exact Mass394.07
IUPAC Name4-[[2-[(2-chlorobenzoyl)amino]benzoyl]amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C21H15ClN2O4/c22-17-7-3-1-5-15(17)19(25)24-18-8-4-2-6-16(18)20(26)23-14-11-9-13(10-12-14)21(27)28/h1-12H,(H,23,26)(H,24,25)(H,27,28)
InChIKeyHMSKCPQZCPNPSC-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

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NS3763
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4-({2-[(4-Tert-butylbenzoyl)amino]benzoyl}amino)benzoic acid
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2-[(3-Chloranyl-2-phenyl-phenyl)amino]benzoic acid
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2-({3-[(3-Chlorobenzoyl)amino]benzoyl}amino)benzoic acid
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CID 91864525
2-Acetamido-6-chlorobenzoic acid
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2-[(2-Chlorobenzoyl)amino]benzoic acid
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2-(2-Chloro-4-(5-fluoro-2-methylbenzamido)benzamido)benzoic acid
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Carotamine
CID 131752767

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2-chlorobenzoyl)amino]benzoyl]amino]benzoic acid?
The IUPAC name of 4-[[2-[(2-chlorobenzoyl)amino]benzoyl]amino]benzoic acid (CID 1364583) is 4-[[2-[(2-chlorobenzoyl)amino]benzoyl]amino]benzoic acid.
What is the SMILES notation for 4-[[2-[(2-chlorobenzoyl)amino]benzoyl]amino]benzoic acid?
The canonical SMILES for 4-[[2-[(2-chlorobenzoyl)amino]benzoyl]amino]benzoic acid is O=C(O)c1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 4-[[2-[(2-chlorobenzoyl)amino]benzoyl]amino]benzoic acid?
The InChIKey is HMSKCPQZCPNPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O4/c22-17-7-3-1-5-15(17)19(25)24-18-8-4-2-6-16(18)20(26)23-14-11-9-13(10-12-14)21(27)28/h1-12H,(H,23,26)(H,24,25)(H,27,28).
What are the key properties of 4-[[2-[(2-chlorobenzoyl)amino]benzoyl]amino]benzoic acid?
4-[[2-[(2-chlorobenzoyl)amino]benzoyl]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-[(2-chlorobenzoyl)amino]benzoyl]amino]benzoic acid is sourced from PubChem (CID 1364583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).