3-(3-acetamidophenyl)-5-aminobenzoic acid

C15H14N2O3 — CID 53227021

IUPAC3-(3-acetamidophenyl)-5-aminobenzoic acid
SMILESCC(=O)Nc1cccc(-c2cc(N)cc(C(=O)O)c2)c1
InChIInChI=1S/C15H14N2O3/c1-9(18)17-14-4-2-3-10(8-14)11-5-12(15(19)20)7-13(16)6-11/h2-8H,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyAHVXDZXYRUYWHO-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.59
Rot. Bonds3

About 3-(3-acetamidophenyl)-5-aminobenzoic acid

3-(3-acetamidophenyl)-5-aminobenzoic acid (PubChem CID 53227021) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-(3-acetamidophenyl)-5-aminobenzoic acid.

Molecular Properties

Compound Name3-(3-acetamidophenyl)-5-aminobenzoic acid
PubChem CID53227021
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name3-(3-acetamidophenyl)-5-aminobenzoic acid
SMILESCC(=O)Nc1cccc(-c2cc(N)cc(C(=O)O)c2)c1
InChIInChI=1S/C15H14N2O3/c1-9(18)17-14-4-2-3-10(8-14)11-5-12(15(19)20)7-13(16)6-11/h2-8H,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyAHVXDZXYRUYWHO-UHFFFAOYSA-N
XLogP2.59
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.59
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-[3-(3-aminophenyl)phenyl]acetamide
CID 22724502
6-(3-acetamidophenyl)pyridine-3-carboxylic acid
CID 53223644
3-[6-(3-acetamidophenyl)pyrazin-2-yl]benzoic acid
CID 126473086
5-(3-acetamidophenyl)-2-hydroxybenzoic acid
CID 10978560
4-(3-acetamidophenyl)-3-fluorobenzoic acid
CID 53227028
4-(3-acetamidophenyl)benzoate
CID 86306420
N-(3-aminophenyl)acetamide;hydrate;hydrochloride
CID 91872080
3-(3-aminophenyl)-5-methoxybenzoic acid
CID 53224920
5-(3-acetamidophenyl)pyridine-2-carboxylic acid
CID 50998543
3-amino-5-(2,3-dichlorophenyl)benzoic acid
CID 53227648
N-(3-benzoyl-5-phenylphenyl)acetamide
CID 59842795
N-(4-acetamidophenyl)-3-phenylbenzamide
CID 117092873

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetamidophenyl)-5-aminobenzoic acid?
The IUPAC name of 3-(3-acetamidophenyl)-5-aminobenzoic acid (CID 53227021) is 3-(3-acetamidophenyl)-5-aminobenzoic acid.
What is the SMILES notation for 3-(3-acetamidophenyl)-5-aminobenzoic acid?
The canonical SMILES for 3-(3-acetamidophenyl)-5-aminobenzoic acid is CC(=O)Nc1cccc(-c2cc(N)cc(C(=O)O)c2)c1.
What is the InChIKey of 3-(3-acetamidophenyl)-5-aminobenzoic acid?
The InChIKey is AHVXDZXYRUYWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-9(18)17-14-4-2-3-10(8-14)11-5-12(15(19)20)7-13(16)6-11/h2-8H,16H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-(3-acetamidophenyl)-5-aminobenzoic acid?
3-(3-acetamidophenyl)-5-aminobenzoic acid has a molecular weight of 270.29 g/mol, XLogP of 2.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetamidophenyl)-5-aminobenzoic acid is sourced from PubChem (CID 53227021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).