4-amino-2-benzoylbenzoic acid

C14H11NO3 — CID 21494601

IUPAC4-amino-2-benzoylbenzoic acid
SMILESNc1ccc(C(=O)O)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C14H11NO3/c15-10-6-7-11(14(17)18)12(8-10)13(16)9-4-2-1-3-5-9/h1-8H,15H2,(H,17,18)
InChIKeyLNDFLSHWXGSWKA-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.20
Rot. Bonds3

About 4-amino-2-benzoylbenzoic acid

4-amino-2-benzoylbenzoic acid (PubChem CID 21494601) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-amino-2-benzoylbenzoic acid.

Molecular Properties

Compound Name4-amino-2-benzoylbenzoic acid
PubChem CID21494601
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name4-amino-2-benzoylbenzoic acid
SMILESNc1ccc(C(=O)O)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C14H11NO3/c15-10-6-7-11(14(17)18)12(8-10)13(16)9-4-2-1-3-5-9/h1-8H,15H2,(H,17,18)
InChIKeyLNDFLSHWXGSWKA-UHFFFAOYSA-N
XLogP2.20
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-aminobenzoic acid;4-aminophthalic acid
CID 69300442
2-benzoylbenzoic acid;hydrofluoride
CID 70485904
2-benzoyl-4-tert-butylbenzoic acid
CID 3106283
(4-aminophenyl)-phenylmethanone
CID 14346
(4-amino-2-ethoxyphenyl)-phenylmethanone
CID 23323350
2-[3-(2-carboxybenzoyl)benzoyl]benzoic acid
CID 153325075
potassium;2-benzoylbenzoic acid;carbonic acid;hydride
CID 174538338
(3-aminophenyl)-phenylmethanone
CID 17817
4-benzoyl-6-(4-methylbenzoyl)benzene-1,3-dicarboxylic acid
CID 23586588
2-benzoyl-5-(4-methylbenzoyl)terephthalic acid
CID 23586512
4-amino-2-(5-amino-2-carboxyphenyl)benzoic acid
CID 22096985
3,4-dibenzoylphthalic acid
CID 22269446

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-benzoylbenzoic acid?
The IUPAC name of 4-amino-2-benzoylbenzoic acid (CID 21494601) is 4-amino-2-benzoylbenzoic acid.
What is the SMILES notation for 4-amino-2-benzoylbenzoic acid?
The canonical SMILES for 4-amino-2-benzoylbenzoic acid is Nc1ccc(C(=O)O)c(C(=O)c2ccccc2)c1.
What is the InChIKey of 4-amino-2-benzoylbenzoic acid?
The InChIKey is LNDFLSHWXGSWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c15-10-6-7-11(14(17)18)12(8-10)13(16)9-4-2-1-3-5-9/h1-8H,15H2,(H,17,18).
What are the key properties of 4-amino-2-benzoylbenzoic acid?
4-amino-2-benzoylbenzoic acid has a molecular weight of 241.25 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-benzoylbenzoic acid is sourced from PubChem (CID 21494601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).