4-[(2-aminophenyl)carbamoyl]benzoic acid

C14H12N2O3 — CID 61408098

IUPAC4-[(2-aminophenyl)carbamoyl]benzoic acid
SMILESNc1ccccc1NC(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C14H12N2O3/c15-11-3-1-2-4-12(11)16-13(17)9-5-7-10(8-6-9)14(18)19/h1-8H,15H2,(H,16,17)(H,18,19)
InChIKeyFQPHYTYXQJZDLK-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.22
Rot. Bonds3

About 4-[(2-aminophenyl)carbamoyl]benzoic acid

4-[(2-aminophenyl)carbamoyl]benzoic acid (PubChem CID 61408098) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 4-[(2-aminophenyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[(2-aminophenyl)carbamoyl]benzoic acid
PubChem CID61408098
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name4-[(2-aminophenyl)carbamoyl]benzoic acid
SMILESNc1ccccc1NC(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C14H12N2O3/c15-11-3-1-2-4-12(11)16-13(17)9-5-7-10(8-6-9)14(18)19/h1-8H,15H2,(H,16,17)(H,18,19)
InChIKeyFQPHYTYXQJZDLK-UHFFFAOYSA-N
XLogP2.22
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-4-hydroxybenzamide;ethane
CID 145225833
N-(2-aminophenyl)-4-(hydroxyamino)benzamide
CID 155418611
4-acetamido-N-(2-aminophenyl)benzamide;4-acetamidobenzoic acid;benzene-1,2-diamine;N,N-dimethylaniline
CID 160598237
4-acetamido-N-(2-aminophenyl)benzamide
CID 2746
N-(2-aminophenyl)-4-(3-methyl-2,4-dioxopentan-3-yl)benzamide
CID 59376462
4-[(2-iodophenyl)carbamoyl]benzoic acid
CID 43386509
N-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide
CID 58916411
N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide
CID 11348920
N-(2-aminophenyl)-4-[(E)-3-oxoprop-1-enyl]benzamide
CID 141088053
N-(2-aminophenyl)-6-oxopyran-3-carboxamide
CID 43600019
N-(2-aminophenyl)-4-(3-phenylpropanoylamino)benzamide
CID 11394274
4-N-(2-aminophenyl)-1-N-(cyclopropylmethyl)benzene-1,4-dicarboxamide
CID 10380630

Frequently Asked Questions

What is the IUPAC name of 4-[(2-aminophenyl)carbamoyl]benzoic acid?
The IUPAC name of 4-[(2-aminophenyl)carbamoyl]benzoic acid (CID 61408098) is 4-[(2-aminophenyl)carbamoyl]benzoic acid.
What is the SMILES notation for 4-[(2-aminophenyl)carbamoyl]benzoic acid?
The canonical SMILES for 4-[(2-aminophenyl)carbamoyl]benzoic acid is Nc1ccccc1NC(=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(2-aminophenyl)carbamoyl]benzoic acid?
The InChIKey is FQPHYTYXQJZDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c15-11-3-1-2-4-12(11)16-13(17)9-5-7-10(8-6-9)14(18)19/h1-8H,15H2,(H,16,17)(H,18,19).
What are the key properties of 4-[(2-aminophenyl)carbamoyl]benzoic acid?
4-[(2-aminophenyl)carbamoyl]benzoic acid has a molecular weight of 256.26 g/mol, XLogP of 2.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-aminophenyl)carbamoyl]benzoic acid is sourced from PubChem (CID 61408098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).