4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]benzoic acid

C16H14FNO4 — CID 162755933

IUPAC4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]benzoic acid
SMILESCOc1ccc(F)cc1C(=O)NCc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H14FNO4/c1-22-14-7-6-12(17)8-13(14)15(19)18-9-10-2-4-11(5-3-10)16(20)21/h2-8H,9H2,1H3,(H,18,19)(H,20,21)
InChIKeyJKGIZYPXDZATPF-UHFFFAOYSA-N
MW303.29 g/mol
LogP2.46
Rot. Bonds5

About 4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]benzoic acid

4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]benzoic acid (PubChem CID 162755933) has the molecular formula C16H14FNO4 and a molecular weight of 303.29 g/mol. Its IUPAC name is 4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]benzoic acid
PubChem CID162755933
Molecular FormulaC16H14FNO4
Molecular Weight303.29 g/mol
Exact Mass303.09
IUPAC Name4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]benzoic acid
SMILESCOc1ccc(F)cc1C(=O)NCc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H14FNO4/c1-22-14-7-6-12(17)8-13(14)15(19)18-9-10-2-4-11(5-3-10)16(20)21/h2-8H,9H2,1H3,(H,18,19)(H,20,21)
InChIKeyJKGIZYPXDZATPF-UHFFFAOYSA-N
XLogP2.46
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[(5-fluoro-2-methoxybenzoyl)amino]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

1-N,3-N-bis[(4-fluorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide
CID 71761549
3-[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]-2-hydroxypropanoic acid
CID 20777373
5-fluoro-2-methoxy-N-[(3-methoxy-5-methylphenyl)methyl]benzamide
CID 167787930
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 31069159
5-fluoro-N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzamide
CID 31069458
methyl 5-[[(4-fluorobenzoyl)amino]methyl]-2-methoxybenzoate
CID 18113005
4-[[(3-chloro-4-methoxybenzoyl)amino]methyl]benzoic acid
CID 17171911
2-[[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]methyl]butanoic acid
CID 20777225
4-[[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]methyl]benzoic acid;methyl 4-[[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]methyl]benzoate
CID 162055040
4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779968
2-cyanopropanamide;5-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide
CID 176988423
N-(2-aminoethyl)-5-fluoro-2-methoxybenzamide
CID 119385341

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]benzoic acid?
The IUPAC name of 4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]benzoic acid (CID 162755933) is 4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]benzoic acid?
The canonical SMILES for 4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]benzoic acid is COc1ccc(F)cc1C(=O)NCc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]benzoic acid?
The InChIKey is JKGIZYPXDZATPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO4/c1-22-14-7-6-12(17)8-13(14)15(19)18-9-10-2-4-11(5-3-10)16(20)21/h2-8H,9H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]benzoic acid?
4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]benzoic acid has a molecular weight of 303.29 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]benzoic acid is sourced from PubChem (CID 162755933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).