3,5-difluoro-4-[(2-methoxyphenyl)methylamino]benzoic acid

C15H13F2NO3 — CID 63183498

IUPAC3,5-difluoro-4-[(2-methoxyphenyl)methylamino]benzoic acid
SMILESCOc1ccccc1CNc1c(F)cc(C(=O)O)cc1F
InChIInChI=1S/C15H13F2NO3/c1-21-13-5-3-2-4-9(13)8-18-14-11(16)6-10(15(19)20)7-12(14)17/h2-7,18H,8H2,1H3,(H,19,20)
InChIKeyZUZHEICPLSYSPF-UHFFFAOYSA-N
MW293.27 g/mol
LogP3.28
Rot. Bonds5

About 3,5-difluoro-4-[(2-methoxyphenyl)methylamino]benzoic acid

3,5-difluoro-4-[(2-methoxyphenyl)methylamino]benzoic acid (PubChem CID 63183498) has the molecular formula C15H13F2NO3 and a molecular weight of 293.27 g/mol. Its IUPAC name is 3,5-difluoro-4-[(2-methoxyphenyl)methylamino]benzoic acid.

Molecular Properties

Compound Name3,5-difluoro-4-[(2-methoxyphenyl)methylamino]benzoic acid
PubChem CID63183498
Molecular FormulaC15H13F2NO3
Molecular Weight293.27 g/mol
Exact Mass293.09
IUPAC Name3,5-difluoro-4-[(2-methoxyphenyl)methylamino]benzoic acid
SMILESCOc1ccccc1CNc1c(F)cc(C(=O)O)cc1F
InChIInChI=1S/C15H13F2NO3/c1-21-13-5-3-2-4-9(13)8-18-14-11(16)6-10(15(19)20)7-12(14)17/h2-7,18H,8H2,1H3,(H,19,20)
InChIKeyZUZHEICPLSYSPF-UHFFFAOYSA-N
XLogP3.28
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,5-difluoro-4-[(2-methoxyphenyl)methylamino]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

3-fluoro-2-[(2-methoxyphenyl)methylamino]benzoic acid
CID 62648491
2,4-difluoro-5-[(2-methoxyphenyl)methylamino]benzoic acid
CID 43737081
1-[4-fluoro-3-[(2-methoxyphenyl)methylamino]phenyl]ethanone
CID 82535518
3-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]-4-methoxybenzoic acid
CID 17059187
4-[(3-ethyl-2-pyridinyl)methylamino]-3,5-difluorobenzoic acid
CID 82737243
3,3,3-trifluoro-2-[(2-methoxyphenyl)methylamino]-2-methylpropanoic acid
CID 79790952
methyl 4-fluoro-2-[(2-methoxyphenyl)methylamino]benzoate
CID 43735149
2,6-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791540
3,4-difluoro-N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]benzamide
CID 113027357
3-fluoro-4-[(2-methoxyphenoxy)methyl]benzoic acid
CID 63072909
5-[[(2-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid
CID 104607925
2,4,6-tribromo-N-[(2-methoxyphenyl)methyl]aniline
CID 28991915

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-[(2-methoxyphenyl)methylamino]benzoic acid?
The IUPAC name of 3,5-difluoro-4-[(2-methoxyphenyl)methylamino]benzoic acid (CID 63183498) is 3,5-difluoro-4-[(2-methoxyphenyl)methylamino]benzoic acid.
What is the SMILES notation for 3,5-difluoro-4-[(2-methoxyphenyl)methylamino]benzoic acid?
The canonical SMILES for 3,5-difluoro-4-[(2-methoxyphenyl)methylamino]benzoic acid is COc1ccccc1CNc1c(F)cc(C(=O)O)cc1F.
What is the InChIKey of 3,5-difluoro-4-[(2-methoxyphenyl)methylamino]benzoic acid?
The InChIKey is ZUZHEICPLSYSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO3/c1-21-13-5-3-2-4-9(13)8-18-14-11(16)6-10(15(19)20)7-12(14)17/h2-7,18H,8H2,1H3,(H,19,20).
What are the key properties of 3,5-difluoro-4-[(2-methoxyphenyl)methylamino]benzoic acid?
3,5-difluoro-4-[(2-methoxyphenyl)methylamino]benzoic acid has a molecular weight of 293.27 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-[(2-methoxyphenyl)methylamino]benzoic acid is sourced from PubChem (CID 63183498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).