4-(N-acetylanilino)benzoic acid

C15H13NO3 — CID 138332806

IUPAC4-(N-acetylanilino)benzoic acid
SMILESCC(=O)N(c1ccccc1)c1ccc(C(=O)O)cc1
InChIInChI=1S/C15H13NO3/c1-11(17)16(13-5-3-2-4-6-13)14-9-7-12(8-10-14)15(18)19/h2-10H,1H3,(H,18,19)
InChIKeyAFBKIMDVZRZKNQ-UHFFFAOYSA-N
MW255.27 g/mol
LogP3.07
Rot. Bonds3

About 4-(N-acetylanilino)benzoic acid

4-(N-acetylanilino)benzoic acid (PubChem CID 138332806) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 4-(N-acetylanilino)benzoic acid.

Molecular Properties

Compound Name4-(N-acetylanilino)benzoic acid
PubChem CID138332806
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name4-(N-acetylanilino)benzoic acid
SMILESCC(=O)N(c1ccccc1)c1ccc(C(=O)O)cc1
InChIInChI=1S/C15H13NO3/c1-11(17)16(13-5-3-2-4-6-13)14-9-7-12(8-10-14)15(18)19/h2-10H,1H3,(H,18,19)
InChIKeyAFBKIMDVZRZKNQ-UHFFFAOYSA-N
XLogP3.07
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(N-acetylanilino)phenyl]-N-phenylacetamide
CID 14470893
N-phenyl-N-(4-prop-1-en-2-ylphenyl)acetamide
CID 177099731
N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]acetamide
CID 59793191
4-[acetyl(benzoyl)amino]benzoic acid
CID 138333706
4-(N-methylanilino)benzoic acid;1-[4-(N-methylanilino)phenyl]ethanone
CID 159806188
2-[N-acetyl-4-(N-acetyl-4-carboxyanilino)anilino]-5-[(E)-2-phenylethenyl]benzoic acid
CID 18405731
4-[amino-(N-aminoanilino)amino]benzoic acid;ethanethiol
CID 144503984
4-[N-acetyl-4-(pyrimidin-2-ylsulfamoyl)anilino]benzoic acid
CID 133083814
benzoic acid;N-methyl-N-phenylaniline
CID 158055475
acetic acid;terephthalic acid
CID 158530154
N-(2-hydroxyphenyl)-N-phenylacetamide
CID 72942625
N-phenyl-N-thiophen-3-ylacetamide
CID 16640263

Frequently Asked Questions

What is the IUPAC name of 4-(N-acetylanilino)benzoic acid?
The IUPAC name of 4-(N-acetylanilino)benzoic acid (CID 138332806) is 4-(N-acetylanilino)benzoic acid.
What is the SMILES notation for 4-(N-acetylanilino)benzoic acid?
The canonical SMILES for 4-(N-acetylanilino)benzoic acid is CC(=O)N(c1ccccc1)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(N-acetylanilino)benzoic acid?
The InChIKey is AFBKIMDVZRZKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-11(17)16(13-5-3-2-4-6-13)14-9-7-12(8-10-14)15(18)19/h2-10H,1H3,(H,18,19).
What are the key properties of 4-(N-acetylanilino)benzoic acid?
4-(N-acetylanilino)benzoic acid has a molecular weight of 255.27 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-acetylanilino)benzoic acid is sourced from PubChem (CID 138332806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).