2-[[2-(methylamino)benzoyl]amino]benzoic acid

C15H14N2O3 — CID 12819847

IUPAC2-[[2-(methylamino)benzoyl]amino]benzoic acid
SMILESCNc1ccccc1C(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C15H14N2O3/c1-16-12-8-4-2-6-10(12)14(18)17-13-9-5-3-7-11(13)15(19)20/h2-9,16H,1H3,(H,17,18)(H,19,20)
InChIKeyWYUKYHWMJLFNRO-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.68
Rot. Bonds4

About 2-[[2-(methylamino)benzoyl]amino]benzoic acid

2-[[2-(methylamino)benzoyl]amino]benzoic acid (PubChem CID 12819847) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-[[2-(methylamino)benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[2-(methylamino)benzoyl]amino]benzoic acid
PubChem CID12819847
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name2-[[2-(methylamino)benzoyl]amino]benzoic acid
SMILESCNc1ccccc1C(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C15H14N2O3/c1-16-12-8-4-2-6-10(12)14(18)17-13-9-5-3-7-11(13)15(19)20/h2-9,16H,1H3,(H,17,18)(H,19,20)
InChIKeyWYUKYHWMJLFNRO-UHFFFAOYSA-N
XLogP2.68
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-acetylbenzoyl)amino]benzoic acid
CID 71162267
2-[[2-(ethylamino)benzoyl]amino]benzoic acid
CID 14221255
2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 1008649
2-[[2-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid
CID 54761803
CID 170843062
CID 170843062
2-[[2-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 4949321
2-[(2,6-dimethylbenzoyl)amino]benzoic acid
CID 107999955
ethane;2-[(4-hydroxybenzoyl)amino]benzoic acid
CID 143368686
N-(2-chloro-3-pyridinyl)-2-(methylamino)benzamide
CID 61375906
2-[[2-(heptan-4-ylamino)benzoyl]amino]benzoic acid
CID 139801207
bis(2-benzamidobenzoic acid);piperazine
CID 3045073
2-[(3,5-dimethylbenzoyl)amino]benzoic acid
CID 16771715

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methylamino)benzoyl]amino]benzoic acid?
The IUPAC name of 2-[[2-(methylamino)benzoyl]amino]benzoic acid (CID 12819847) is 2-[[2-(methylamino)benzoyl]amino]benzoic acid.
What is the SMILES notation for 2-[[2-(methylamino)benzoyl]amino]benzoic acid?
The canonical SMILES for 2-[[2-(methylamino)benzoyl]amino]benzoic acid is CNc1ccccc1C(=O)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[[2-(methylamino)benzoyl]amino]benzoic acid?
The InChIKey is WYUKYHWMJLFNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-16-12-8-4-2-6-10(12)14(18)17-13-9-5-3-7-11(13)15(19)20/h2-9,16H,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[[2-(methylamino)benzoyl]amino]benzoic acid?
2-[[2-(methylamino)benzoyl]amino]benzoic acid has a molecular weight of 270.29 g/mol, XLogP of 2.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methylamino)benzoyl]amino]benzoic acid is sourced from PubChem (CID 12819847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).