4-(4-acetamidoanilino)benzoic acid

C15H14N2O3 — CID 11425691

IUPAC4-(4-acetamidoanilino)benzoic acid
SMILESCC(=O)Nc1ccc(Nc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C15H14N2O3/c1-10(18)16-12-6-8-14(9-7-12)17-13-4-2-11(3-5-13)15(19)20/h2-9,17H,1H3,(H,16,18)(H,19,20)
InChIKeyUZRUQIVUVVRMNN-UHFFFAOYSA-N
MW270.29 g/mol
LogP3.09
Rot. Bonds4

About 4-(4-acetamidoanilino)benzoic acid

4-(4-acetamidoanilino)benzoic acid (PubChem CID 11425691) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-(4-acetamidoanilino)benzoic acid.

Molecular Properties

Compound Name4-(4-acetamidoanilino)benzoic acid
PubChem CID11425691
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name4-(4-acetamidoanilino)benzoic acid
SMILESCC(=O)Nc1ccc(Nc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C15H14N2O3/c1-10(18)16-12-6-8-14(9-7-12)17-13-4-2-11(3-5-13)15(19)20/h2-9,17H,1H3,(H,16,18)(H,19,20)
InChIKeyUZRUQIVUVVRMNN-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-[(4-acetamidobenzoyl)amino]benzoyl]amino]benzoic acid
CID 155141284
4-acetamidobenzoic acid;butanoic acid
CID 159836092
4-[(4-acetamidophenyl)methylamino]benzoic acid
CID 43139218
N-[4-(4-chloroanilino)phenyl]acetamide
CID 71397904
4-acetamidobenzoic acid;(2S)-1-(dimethylamino)propan-2-ol
CID 76964719
4-(3,4-dimethylanilino)benzoic acid
CID 62230347
4-acetamidobenzoyl chloride
CID 7010341
N-(4-acetylphenyl)acetamide;fluoromethane
CID 160517938
4-acetamidobenzenecarbothioic S-acid
CID 86154982
acetic acid;terephthalic acid
CID 158530154
N-[4-(3,5-dihydroxyanilino)phenyl]acetamide
CID 139679971
N-[4-(4-acetamidoanilino)phenyl]-4-methoxybenzamide
CID 112988363

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetamidoanilino)benzoic acid?
The IUPAC name of 4-(4-acetamidoanilino)benzoic acid (CID 11425691) is 4-(4-acetamidoanilino)benzoic acid.
What is the SMILES notation for 4-(4-acetamidoanilino)benzoic acid?
The canonical SMILES for 4-(4-acetamidoanilino)benzoic acid is CC(=O)Nc1ccc(Nc2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-(4-acetamidoanilino)benzoic acid?
The InChIKey is UZRUQIVUVVRMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10(18)16-12-6-8-14(9-7-12)17-13-4-2-11(3-5-13)15(19)20/h2-9,17H,1H3,(H,16,18)(H,19,20).
What are the key properties of 4-(4-acetamidoanilino)benzoic acid?
4-(4-acetamidoanilino)benzoic acid has a molecular weight of 270.29 g/mol, XLogP of 3.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetamidoanilino)benzoic acid is sourced from PubChem (CID 11425691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).