2-(4-acetylanilino)-4-phenylbenzoic acid

C21H17NO3 — CID 68960140

IUPAC2-(4-acetylanilino)-4-phenylbenzoic acid
SMILESCC(=O)c1ccc(Nc2cc(-c3ccccc3)ccc2C(=O)O)cc1
InChIInChI=1S/C21H17NO3/c1-14(23)15-7-10-18(11-8-15)22-20-13-17(9-12-19(20)21(24)25)16-5-3-2-4-6-16/h2-13,22H,1H3,(H,24,25)
InChIKeyITNMLUJKXUPRLQ-UHFFFAOYSA-N
MW331.37 g/mol
LogP5.00
Rot. Bonds5

About 2-(4-acetylanilino)-4-phenylbenzoic acid

2-(4-acetylanilino)-4-phenylbenzoic acid (PubChem CID 68960140) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-(4-acetylanilino)-4-phenylbenzoic acid.

Molecular Properties

Compound Name2-(4-acetylanilino)-4-phenylbenzoic acid
PubChem CID68960140
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Name2-(4-acetylanilino)-4-phenylbenzoic acid
SMILESCC(=O)c1ccc(Nc2cc(-c3ccccc3)ccc2C(=O)O)cc1
InChIInChI=1S/C21H17NO3/c1-14(23)15-7-10-18(11-8-15)22-20-13-17(9-12-19(20)21(24)25)16-5-3-2-4-6-16/h2-13,22H,1H3,(H,24,25)
InChIKeyITNMLUJKXUPRLQ-UHFFFAOYSA-N
XLogP5.00
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hydroxyanilino)-4-phenylbenzoic acid
CID 68960538
2-(2-fluoroanilino)-4-phenylbenzoic acid
CID 68958907
4-(4-tert-butylphenyl)-2-(4-fluoroanilino)benzoic acid
CID 68962853
ethane;1-(4-phenylphenyl)ethanone
CID 123256888
2-(2-nitroanilino)-4-phenylbenzoic acid
CID 68959849
formaldehyde;1-(4-phenylphenyl)ethanone
CID 70138371
4-(3-hydroxyphenyl)-2-(2-methylanilino)benzoic acid
CID 68962733
2-[(2-carboxybenzoyl)amino]-4-phenylbenzoic acid
CID 167346908
1-[2-methyl-4-(4-phenylphenyl)phenyl]ethanone
CID 20716213
acetylene;ethane;formamide;1-[4-(3-phenylanilino)phenyl]ethanone;1,4-xylene
CID 142078260
5-acetyl-2-(4-chloroanilino)benzoic acid
CID 70686076
1-[4-(2-aminoanilino)phenyl]ethanone
CID 82287828

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylanilino)-4-phenylbenzoic acid?
The IUPAC name of 2-(4-acetylanilino)-4-phenylbenzoic acid (CID 68960140) is 2-(4-acetylanilino)-4-phenylbenzoic acid.
What is the SMILES notation for 2-(4-acetylanilino)-4-phenylbenzoic acid?
The canonical SMILES for 2-(4-acetylanilino)-4-phenylbenzoic acid is CC(=O)c1ccc(Nc2cc(-c3ccccc3)ccc2C(=O)O)cc1.
What is the InChIKey of 2-(4-acetylanilino)-4-phenylbenzoic acid?
The InChIKey is ITNMLUJKXUPRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c1-14(23)15-7-10-18(11-8-15)22-20-13-17(9-12-19(20)21(24)25)16-5-3-2-4-6-16/h2-13,22H,1H3,(H,24,25).
What are the key properties of 2-(4-acetylanilino)-4-phenylbenzoic acid?
2-(4-acetylanilino)-4-phenylbenzoic acid has a molecular weight of 331.37 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylanilino)-4-phenylbenzoic acid is sourced from PubChem (CID 68960140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).