3-(4-acetylanilino)benzoic acid

C15H13NO3 — CID 11184397

IUPAC3-(4-acetylanilino)benzoic acid
SMILESCC(=O)c1ccc(Nc2cccc(C(=O)O)c2)cc1
InChIInChI=1S/C15H13NO3/c1-10(17)11-5-7-13(8-6-11)16-14-4-2-3-12(9-14)15(18)19/h2-9,16H,1H3,(H,18,19)
InChIKeyWVJCBUXADPESMP-UHFFFAOYSA-N
MW255.27 g/mol
LogP3.33
Rot. Bonds4

About 3-(4-acetylanilino)benzoic acid

3-(4-acetylanilino)benzoic acid (PubChem CID 11184397) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 3-(4-acetylanilino)benzoic acid.

Molecular Properties

Compound Name3-(4-acetylanilino)benzoic acid
PubChem CID11184397
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name3-(4-acetylanilino)benzoic acid
SMILESCC(=O)c1ccc(Nc2cccc(C(=O)O)c2)cc1
InChIInChI=1S/C15H13NO3/c1-10(17)11-5-7-13(8-6-11)16-14-4-2-3-12(9-14)15(18)19/h2-9,16H,1H3,(H,18,19)
InChIKeyWVJCBUXADPESMP-UHFFFAOYSA-N
XLogP3.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-aminoanilino)phenyl]ethanone
CID 82287829
N-[4-(3-acetylanilino)phenyl]benzamide
CID 112988119
3-(4-methylsulfonylanilino)benzoic acid
CID 43453294
5-(3-acetylanilino)-2-methylbenzoic acid
CID 155290240
4-(3-bromoanilino)benzoic acid
CID 55049149
N-(3-acetylphenyl)-N'-(4-acetylphenyl)-2,2-dimethylpropanediamide
CID 108969722
N-[4-(3-acetylanilino)phenyl]-3,4-dimethylbenzamide
CID 112988131
3-(3-chloro-4-fluoroanilino)benzoic acid
CID 82536192
N-[4-(3-acetylanilino)phenyl]-3,4-difluorobenzamide
CID 112988151
1-[4-(3-phenylmethoxyanilino)phenyl]ethanone
CID 174285774
3-(methylamino)benzoic acid;hydrochloride
CID 55250935
4-(3-acetylanilino)quinoline-3,6-dicarboxylic acid
CID 91206035

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylanilino)benzoic acid?
The IUPAC name of 3-(4-acetylanilino)benzoic acid (CID 11184397) is 3-(4-acetylanilino)benzoic acid.
What is the SMILES notation for 3-(4-acetylanilino)benzoic acid?
The canonical SMILES for 3-(4-acetylanilino)benzoic acid is CC(=O)c1ccc(Nc2cccc(C(=O)O)c2)cc1.
What is the InChIKey of 3-(4-acetylanilino)benzoic acid?
The InChIKey is WVJCBUXADPESMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-10(17)11-5-7-13(8-6-11)16-14-4-2-3-12(9-14)15(18)19/h2-9,16H,1H3,(H,18,19).
What are the key properties of 3-(4-acetylanilino)benzoic acid?
3-(4-acetylanilino)benzoic acid has a molecular weight of 255.27 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylanilino)benzoic acid is sourced from PubChem (CID 11184397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).