2-[(2-benzamidobenzoyl)amino]benzoic acid

C21H16N2O4 — CID 1215342

IUPAC2-[(2-benzamidobenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)Nc1ccccc1C(=O)O)c1ccccc1
InChIInChI=1S/C21H16N2O4/c24-19(14-8-2-1-3-9-14)22-17-12-6-4-10-15(17)20(25)23-18-13-7-5-11-16(18)21(26)27/h1-13H,(H,22,24)(H,23,25)(H,26,27)
InChIKeyQNNOKAUNPFYKNS-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.89
Rot. Bonds5

About 2-[(2-benzamidobenzoyl)amino]benzoic acid

2-[(2-benzamidobenzoyl)amino]benzoic acid (PubChem CID 1215342) has the molecular formula C21H16N2O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is 2-[(2-benzamidobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(2-benzamidobenzoyl)amino]benzoic acid
PubChem CID1215342
Molecular FormulaC21H16N2O4
Molecular Weight360.37 g/mol
Exact Mass360.11
IUPAC Name2-[(2-benzamidobenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)Nc1ccccc1C(=O)O)c1ccccc1
InChIInChI=1S/C21H16N2O4/c24-19(14-8-2-1-3-9-14)22-17-12-6-4-10-15(17)20(25)23-18-13-7-5-11-16(18)21(26)27/h1-13H,(H,22,24)(H,23,25)(H,26,27)
InChIKeyQNNOKAUNPFYKNS-UHFFFAOYSA-N
XLogP3.89
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-benzamidobenzoyl)amino]benzoic acid?
The IUPAC name of 2-[(2-benzamidobenzoyl)amino]benzoic acid (CID 1215342) is 2-[(2-benzamidobenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-[(2-benzamidobenzoyl)amino]benzoic acid?
The canonical SMILES for 2-[(2-benzamidobenzoyl)amino]benzoic acid is O=C(Nc1ccccc1C(=O)Nc1ccccc1C(=O)O)c1ccccc1.
What is the InChIKey of 2-[(2-benzamidobenzoyl)amino]benzoic acid?
The InChIKey is QNNOKAUNPFYKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4/c24-19(14-8-2-1-3-9-14)22-17-12-6-4-10-15(17)20(25)23-18-13-7-5-11-16(18)21(26)27/h1-13H,(H,22,24)(H,23,25)(H,26,27).
What are the key properties of 2-[(2-benzamidobenzoyl)amino]benzoic acid?
2-[(2-benzamidobenzoyl)amino]benzoic acid has a molecular weight of 360.37 g/mol, XLogP of 3.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-benzamidobenzoyl)amino]benzoic acid is sourced from PubChem (CID 1215342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).