2-[[(2,4-difluorophenyl)methylamino]methyl]benzoic acid

C15H13F2NO2 — CID 103248413

IUPAC2-[[(2,4-difluorophenyl)methylamino]methyl]benzoic acid
SMILESO=C(O)c1ccccc1CNCc1ccc(F)cc1F
InChIInChI=1S/C15H13F2NO2/c16-12-6-5-11(14(17)7-12)9-18-8-10-3-1-2-4-13(10)15(19)20/h1-7,18H,8-9H2,(H,19,20)
InChIKeyNLVXWIDRWRUOJG-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.95
Rot. Bonds5

About 2-[[(2,4-difluorophenyl)methylamino]methyl]benzoic acid

2-[[(2,4-difluorophenyl)methylamino]methyl]benzoic acid (PubChem CID 103248413) has the molecular formula C15H13F2NO2 and a molecular weight of 277.27 g/mol. Its IUPAC name is 2-[[(2,4-difluorophenyl)methylamino]methyl]benzoic acid.

Molecular Properties

Compound Name2-[[(2,4-difluorophenyl)methylamino]methyl]benzoic acid
PubChem CID103248413
Molecular FormulaC15H13F2NO2
Molecular Weight277.27 g/mol
Exact Mass277.09
IUPAC Name2-[[(2,4-difluorophenyl)methylamino]methyl]benzoic acid
SMILESO=C(O)c1ccccc1CNCc1ccc(F)cc1F
InChIInChI=1S/C15H13F2NO2/c16-12-6-5-11(14(17)7-12)9-18-8-10-3-1-2-4-13(10)15(19)20/h1-7,18H,8-9H2,(H,19,20)
InChIKeyNLVXWIDRWRUOJG-UHFFFAOYSA-N
XLogP2.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[[(2,4-difluorophenyl)methylamino]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

2-[[(4-fluorophenyl)methylamino]methyl]benzoic acid;hydrochloride
CID 17158189
2-[[(2,4-difluorophenyl)methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77027172
6-[[(2,4-difluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904640
2-[2-[(2-fluorophenyl)methylamino]ethyl]benzoic acid
CID 104546813
2-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylic acid
CID 62228145
2-[(2,4-difluorophenyl)methoxy]benzoic acid
CID 62198104
2-[(4-fluoro-2-iodoanilino)methyl]benzoic acid
CID 103256318
(2,4-difluorophenyl)methylcarbamic acid
CID 23207286
2-[[3-[(2,4-difluorophenyl)methyl]-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methyl]benzoic acid
CID 136557959
4-[(2,4-difluorophenyl)methylamino]butanoic acid
CID 60782740
3-[(2,4-difluorophenyl)methylcarbamoyl]benzoic acid
CID 62229810
2-[(4-bromo-2,5-difluoroanilino)methyl]benzoic acid
CID 107613444

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,4-difluorophenyl)methylamino]methyl]benzoic acid?
The IUPAC name of 2-[[(2,4-difluorophenyl)methylamino]methyl]benzoic acid (CID 103248413) is 2-[[(2,4-difluorophenyl)methylamino]methyl]benzoic acid.
What is the SMILES notation for 2-[[(2,4-difluorophenyl)methylamino]methyl]benzoic acid?
The canonical SMILES for 2-[[(2,4-difluorophenyl)methylamino]methyl]benzoic acid is O=C(O)c1ccccc1CNCc1ccc(F)cc1F.
What is the InChIKey of 2-[[(2,4-difluorophenyl)methylamino]methyl]benzoic acid?
The InChIKey is NLVXWIDRWRUOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2/c16-12-6-5-11(14(17)7-12)9-18-8-10-3-1-2-4-13(10)15(19)20/h1-7,18H,8-9H2,(H,19,20).
What are the key properties of 2-[[(2,4-difluorophenyl)methylamino]methyl]benzoic acid?
2-[[(2,4-difluorophenyl)methylamino]methyl]benzoic acid has a molecular weight of 277.27 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,4-difluorophenyl)methylamino]methyl]benzoic acid is sourced from PubChem (CID 103248413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).