4-[(4-fluoro-N-formylanilino)methyl]benzoic acid

C15H12FNO3 — CID 20848458

IUPAC4-[(4-fluoro-N-formylanilino)methyl]benzoic acid
SMILESO=CN(Cc1ccc(C(=O)O)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H12FNO3/c16-13-5-7-14(8-6-13)17(10-18)9-11-1-3-12(4-2-11)15(19)20/h1-8,10H,9H2,(H,19,20)
InChIKeyQWWLDBQLCJZUCT-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.69
Rot. Bonds5

About 4-[(4-fluoro-N-formylanilino)methyl]benzoic acid

4-[(4-fluoro-N-formylanilino)methyl]benzoic acid (PubChem CID 20848458) has the molecular formula C15H12FNO3 and a molecular weight of 273.26 g/mol. Its IUPAC name is 4-[(4-fluoro-N-formylanilino)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(4-fluoro-N-formylanilino)methyl]benzoic acid
PubChem CID20848458
Molecular FormulaC15H12FNO3
Molecular Weight273.26 g/mol
Exact Mass273.08
IUPAC Name4-[(4-fluoro-N-formylanilino)methyl]benzoic acid
SMILESO=CN(Cc1ccc(C(=O)O)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H12FNO3/c16-13-5-7-14(8-6-13)17(10-18)9-11-1-3-12(4-2-11)15(19)20/h1-8,10H,9H2,(H,19,20)
InChIKeyQWWLDBQLCJZUCT-UHFFFAOYSA-N
XLogP2.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(4-fluoro-N-formylanilino)methyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-fluoro-N-formylanilino)methyl]benzoic acid
CID 20848164
4-[(N-formyl-3-hydroxy-4-methylanilino)methyl]benzoic acid
CID 20848418
4-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]benzoic acid
CID 67529306
N,N-diethylethanamine;4-fluorobenzoic acid
CID 71324122
4-[[[2-[[4-(dimethylamino)phenyl]methyl-formylamino]benzoyl]-methylamino]methyl]benzoic acid
CID 130372742
4-[[methyl(propyl)amino]methyl]benzoic acid
CID 39241525
[(4-fluorophenyl)methyl-formylamino]carbamic acid
CID 87274668
4-[[N-[(4-carboxyphenyl)methyl]anilino]methyl]benzoic acid
CID 101475742
4-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]benzoic acid
CID 19996362
4-[[bis(carboxymethyl)amino]methyl]benzoic acid
CID 129396565
4-[[4-(N-phenylanilino)phenyl]methyl]benzoic acid
CID 175081010
N-(benzylsulfanylmethyl)-N-(4-fluorophenyl)formamide
CID 140983444

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-N-formylanilino)methyl]benzoic acid?
The IUPAC name of 4-[(4-fluoro-N-formylanilino)methyl]benzoic acid (CID 20848458) is 4-[(4-fluoro-N-formylanilino)methyl]benzoic acid.
What is the SMILES notation for 4-[(4-fluoro-N-formylanilino)methyl]benzoic acid?
The canonical SMILES for 4-[(4-fluoro-N-formylanilino)methyl]benzoic acid is O=CN(Cc1ccc(C(=O)O)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluoro-N-formylanilino)methyl]benzoic acid?
The InChIKey is QWWLDBQLCJZUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO3/c16-13-5-7-14(8-6-13)17(10-18)9-11-1-3-12(4-2-11)15(19)20/h1-8,10H,9H2,(H,19,20).
What are the key properties of 4-[(4-fluoro-N-formylanilino)methyl]benzoic acid?
4-[(4-fluoro-N-formylanilino)methyl]benzoic acid has a molecular weight of 273.26 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-N-formylanilino)methyl]benzoic acid is sourced from PubChem (CID 20848458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).