4-[acetyl(benzoyl)amino]benzoic acid

C16H13NO4 — CID 138333706

IUPAC4-[acetyl(benzoyl)amino]benzoic acid
SMILESCC(=O)N(C(=O)c1ccccc1)c1ccc(C(=O)O)cc1
InChIInChI=1S/C16H13NO4/c1-11(18)17(15(19)12-5-3-2-4-6-12)14-9-7-13(8-10-14)16(20)21/h2-10H,1H3,(H,20,21)
InChIKeyGZYMSEBERMGNEL-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.58
Rot. Bonds3

About 4-[acetyl(benzoyl)amino]benzoic acid

4-[acetyl(benzoyl)amino]benzoic acid (PubChem CID 138333706) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is 4-[acetyl(benzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[acetyl(benzoyl)amino]benzoic acid
PubChem CID138333706
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name4-[acetyl(benzoyl)amino]benzoic acid
SMILESCC(=O)N(C(=O)c1ccccc1)c1ccc(C(=O)O)cc1
InChIInChI=1S/C16H13NO4/c1-11(18)17(15(19)12-5-3-2-4-6-12)14-9-7-13(8-10-14)16(20)21/h2-10H,1H3,(H,20,21)
InChIKeyGZYMSEBERMGNEL-UHFFFAOYSA-N
XLogP2.58
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzoyl-N-[4-(dibenzoylamino)phenyl]benzamide
CID 171577154
N-acetyl-4-methyl-N-(4-methylphenyl)benzamide
CID 163721412
4-(N-acetylanilino)benzoic acid
CID 138332806
N-(4-acetylphenyl)-N-carbamothioylbenzamide
CID 141254851
benzoic acid;methanol
CID 67901482
potassium;benzoic acid;2-methylpropane
CID 118589563
4-(N-methylanilino)benzoic acid;1-[4-(N-methylanilino)phenyl]ethanone
CID 159806188
N-[1-(N-benzoyl-4-methylanilino)ethenyl]-N-(4-methylphenyl)benzamide
CID 13213795
benzoic acid;methanamine
CID 158244769
benzoic acid;N-methyl-N-phenylaniline
CID 158055475
benzoic acid;zirconium
CID 173089080
acetic acid;terephthalic acid
CID 158530154

Frequently Asked Questions

What is the IUPAC name of 4-[acetyl(benzoyl)amino]benzoic acid?
The IUPAC name of 4-[acetyl(benzoyl)amino]benzoic acid (CID 138333706) is 4-[acetyl(benzoyl)amino]benzoic acid.
What is the SMILES notation for 4-[acetyl(benzoyl)amino]benzoic acid?
The canonical SMILES for 4-[acetyl(benzoyl)amino]benzoic acid is CC(=O)N(C(=O)c1ccccc1)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[acetyl(benzoyl)amino]benzoic acid?
The InChIKey is GZYMSEBERMGNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c1-11(18)17(15(19)12-5-3-2-4-6-12)14-9-7-13(8-10-14)16(20)21/h2-10H,1H3,(H,20,21).
What are the key properties of 4-[acetyl(benzoyl)amino]benzoic acid?
4-[acetyl(benzoyl)amino]benzoic acid has a molecular weight of 283.28 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[acetyl(benzoyl)amino]benzoic acid is sourced from PubChem (CID 138333706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).