2-(2-formylanilino)benzoic acid

C14H11NO3 — CID 54432432

IUPAC2-(2-formylanilino)benzoic acid
SMILESO=Cc1ccccc1Nc1ccccc1C(=O)O
InChIInChI=1S/C14H11NO3/c16-9-10-5-1-3-7-12(10)15-13-8-4-2-6-11(13)14(17)18/h1-9,15H,(H,17,18)
InChIKeyWIKHKVMSLFBBKN-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.94
Rot. Bonds4

About 2-(2-formylanilino)benzoic acid

2-(2-formylanilino)benzoic acid (PubChem CID 54432432) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-(2-formylanilino)benzoic acid.

Molecular Properties

Compound Name2-(2-formylanilino)benzoic acid
PubChem CID54432432
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name2-(2-formylanilino)benzoic acid
SMILESO=Cc1ccccc1Nc1ccccc1C(=O)O
InChIInChI=1S/C14H11NO3/c16-9-10-5-1-3-7-12(10)15-13-8-4-2-6-11(13)14(17)18/h1-9,15H,(H,17,18)
InChIKeyWIKHKVMSLFBBKN-UHFFFAOYSA-N
XLogP2.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sodium;2-anilinobenzoic acid;formate
CID 174516679
2-(2-carboxyanilino)benzoic acid;methylsulfanylmethane
CID 144550401
2-anilinobenzoic acid;N-phenylaniline
CID 68732454
2-(4-hydroxyanilino)benzoic acid
CID 11593806
2-[2-(2-carboxyanilino)-4,5-difluoroanilino]benzoic acid
CID 10385313
2-formylbenzoic acid;methoxymethane
CID 90858085
ethane;2-(2-methoxycarbonylanilino)benzoic acid
CID 54418297
2-[4,5-dicarbamoyl-2-(2-carboxyanilino)anilino]benzoic acid
CID 22076419
2-(2-bromo-3-chloroanilino)benzoic acid
CID 103480389
2-[3-(2-carboxyanilino)anilino]benzoic acid
CID 21179580
4-bromo-2-(2-carboxyanilino)benzoic acid
CID 13257846
2-[2-(2-hydroxyethyl)anilino]benzoic acid
CID 10956213

Frequently Asked Questions

What is the IUPAC name of 2-(2-formylanilino)benzoic acid?
The IUPAC name of 2-(2-formylanilino)benzoic acid (CID 54432432) is 2-(2-formylanilino)benzoic acid.
What is the SMILES notation for 2-(2-formylanilino)benzoic acid?
The canonical SMILES for 2-(2-formylanilino)benzoic acid is O=Cc1ccccc1Nc1ccccc1C(=O)O.
What is the InChIKey of 2-(2-formylanilino)benzoic acid?
The InChIKey is WIKHKVMSLFBBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c16-9-10-5-1-3-7-12(10)15-13-8-4-2-6-11(13)14(17)18/h1-9,15H,(H,17,18).
What are the key properties of 2-(2-formylanilino)benzoic acid?
2-(2-formylanilino)benzoic acid has a molecular weight of 241.25 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formylanilino)benzoic acid is sourced from PubChem (CID 54432432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).