4-[(2-acetamidobenzoyl)amino]benzoic acid

C16H14N2O4 — CID 3729274

IUPAC4-[(2-acetamidobenzoyl)amino]benzoic acid
SMILESCC(=O)Nc1ccccc1C(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H14N2O4/c1-10(19)17-14-5-3-2-4-13(14)15(20)18-12-8-6-11(7-9-12)16(21)22/h2-9H,1H3,(H,17,19)(H,18,20)(H,21,22)
InChIKeyHHYQYOWBQZCVJX-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.60
Rot. Bonds4

About 4-[(2-acetamidobenzoyl)amino]benzoic acid

4-[(2-acetamidobenzoyl)amino]benzoic acid (PubChem CID 3729274) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 4-[(2-acetamidobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(2-acetamidobenzoyl)amino]benzoic acid
PubChem CID3729274
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name4-[(2-acetamidobenzoyl)amino]benzoic acid
SMILESCC(=O)Nc1ccccc1C(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H14N2O4/c1-10(19)17-14-5-3-2-4-13(14)15(20)18-12-8-6-11(7-9-12)16(21)22/h2-9H,1H3,(H,17,19)(H,18,20)(H,21,22)
InChIKeyHHYQYOWBQZCVJX-UHFFFAOYSA-N
XLogP2.60
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(propanoylamino)benzoyl]amino]benzoic acid
CID 2232955
2-[(4-carboxyphenyl)carbamoyl]benzoic acid
CID 746560
4-[(2-methylbenzoyl)amino]benzoic acid
CID 11615814
4-[[2-(3-phenylprop-2-enoylamino)benzoyl]amino]benzoic acid
CID 1230925
4-[[2-(tetradecanoylamino)benzoyl]amino]benzoic acid
CID 155548580
4-[[4-[(4-acetamidobenzoyl)amino]benzoyl]amino]benzoic acid
CID 155141284
2-[(4-methylbenzoyl)amino]-N-phenylbenzamide
CID 913419
2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 1008649
4-[[2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoyl]amino]benzoic acid
CID 1298155
N-phenyl-2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]benzamide
CID 139684594
2-acetamido-N-(3,5-dimethylphenyl)benzamide
CID 3348341
CID 170843062
CID 170843062

Frequently Asked Questions

What is the IUPAC name of 4-[(2-acetamidobenzoyl)amino]benzoic acid?
The IUPAC name of 4-[(2-acetamidobenzoyl)amino]benzoic acid (CID 3729274) is 4-[(2-acetamidobenzoyl)amino]benzoic acid.
What is the SMILES notation for 4-[(2-acetamidobenzoyl)amino]benzoic acid?
The canonical SMILES for 4-[(2-acetamidobenzoyl)amino]benzoic acid is CC(=O)Nc1ccccc1C(=O)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(2-acetamidobenzoyl)amino]benzoic acid?
The InChIKey is HHYQYOWBQZCVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-10(19)17-14-5-3-2-4-13(14)15(20)18-12-8-6-11(7-9-12)16(21)22/h2-9H,1H3,(H,17,19)(H,18,20)(H,21,22).
What are the key properties of 4-[(2-acetamidobenzoyl)amino]benzoic acid?
4-[(2-acetamidobenzoyl)amino]benzoic acid has a molecular weight of 298.30 g/mol, XLogP of 2.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-acetamidobenzoyl)amino]benzoic acid is sourced from PubChem (CID 3729274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).