2-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid

C15H14FNO3 — CID 81304297

IUPAC2-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(NCc2ccc(F)cc2)c1
InChIInChI=1S/C15H14FNO3/c1-20-12-6-7-13(15(18)19)14(8-12)17-9-10-2-4-11(16)5-3-10/h2-8,17H,9H2,1H3,(H,18,19)
InChIKeyCOCXGFXCZYUKEA-UHFFFAOYSA-N
MW275.28 g/mol
LogP3.14
Rot. Bonds5

About 2-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid

2-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid (PubChem CID 81304297) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid
PubChem CID81304297
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name2-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(NCc2ccc(F)cc2)c1
InChIInChI=1S/C15H14FNO3/c1-20-12-6-7-13(15(18)19)14(8-12)17-9-10-2-4-11(16)5-3-10/h2-8,17H,9H2,1H3,(H,18,19)
InChIKeyCOCXGFXCZYUKEA-UHFFFAOYSA-N
XLogP3.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(4-fluorophenyl)methylamino]-4-methoxybenzoic 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]-4,6-dimethoxybenzoic acid
CID 162354068
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxyaniline
CID 82539246
2-[2-[(4-fluorophenyl)methylamino]-2-oxoethoxy]-5-methoxybenzoic acid
CID 45419477
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide
CID 30691396
3-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid
CID 17058964
4-methoxy-2-(methylamino)benzoic acid
CID 70479848
2-[2-(4-fluorophenyl)ethylamino]-4-methoxybenzenecarbothioamide
CID 81297627
4-bromo-2-[(3-methoxyphenyl)methylamino]benzoic acid
CID 114907248
2-[(4-bromothiophen-2-yl)methylamino]-4-methoxybenzoic acid
CID 81308582
methyl 5-fluoro-2-[(4-fluorophenyl)methylamino]benzoate
CID 43735453
4-methoxy-2-(phenacylamino)benzoic acid
CID 595749
4-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]benzoic acid
CID 81304952

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid?
The IUPAC name of 2-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid (CID 81304297) is 2-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid.
What is the SMILES notation for 2-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid?
The canonical SMILES for 2-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid is COc1ccc(C(=O)O)c(NCc2ccc(F)cc2)c1.
What is the InChIKey of 2-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid?
The InChIKey is COCXGFXCZYUKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-20-12-6-7-13(15(18)19)14(8-12)17-9-10-2-4-11(16)5-3-10/h2-8,17H,9H2,1H3,(H,18,19).
What are the key properties of 2-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid?
2-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid has a molecular weight of 275.28 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid is sourced from PubChem (CID 81304297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).