5-amino-2-benzoylbenzoic acid

C14H11NO3 — CID 16548

IUPAC5-amino-2-benzoylbenzoic acid
SMILESNc1ccc(C(=O)c2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C14H11NO3/c15-10-6-7-11(12(8-10)14(17)18)13(16)9-4-2-1-3-5-9/h1-8H,15H2,(H,17,18)
InChIKeyZDLMIZMSCMTDOD-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.20
Rot. Bonds3

About 5-amino-2-benzoylbenzoic acid

5-amino-2-benzoylbenzoic acid (PubChem CID 16548) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 5-amino-2-benzoylbenzoic acid.

Molecular Properties

Compound Name5-amino-2-benzoylbenzoic acid
PubChem CID16548
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name5-amino-2-benzoylbenzoic acid
SMILESNc1ccc(C(=O)c2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C14H11NO3/c15-10-6-7-11(12(8-10)14(17)18)13(16)9-4-2-1-3-5-9/h1-8H,15H2,(H,17,18)
InChIKeyZDLMIZMSCMTDOD-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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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-benzoylbenzoic acid?
The IUPAC name of 5-amino-2-benzoylbenzoic acid (CID 16548) is 5-amino-2-benzoylbenzoic acid.
What is the SMILES notation for 5-amino-2-benzoylbenzoic acid?
The canonical SMILES for 5-amino-2-benzoylbenzoic acid is Nc1ccc(C(=O)c2ccccc2)c(C(=O)O)c1.
What is the InChIKey of 5-amino-2-benzoylbenzoic acid?
The InChIKey is ZDLMIZMSCMTDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c15-10-6-7-11(12(8-10)14(17)18)13(16)9-4-2-1-3-5-9/h1-8H,15H2,(H,17,18).
What are the key properties of 5-amino-2-benzoylbenzoic acid?
5-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 5-amino-2-benzoylbenzoic acid is sourced from PubChem (CID 16548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).