2-fluoro-6-[furan-2-ylmethyl(methyl)amino]benzoic acid

C13H12FNO3 — CID 79522283

IUPAC2-fluoro-6-[furan-2-ylmethyl(methyl)amino]benzoic acid
SMILESCN(Cc1ccco1)c1cccc(F)c1C(=O)O
InChIInChI=1S/C13H12FNO3/c1-15(8-9-4-3-7-18-9)11-6-2-5-10(14)12(11)13(16)17/h2-7H,8H2,1H3,(H,16,17)
InChIKeyFFOKSGOGVCMLAG-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.75
Rot. Bonds4

About 2-fluoro-6-[furan-2-ylmethyl(methyl)amino]benzoic acid

2-fluoro-6-[furan-2-ylmethyl(methyl)amino]benzoic acid (PubChem CID 79522283) has the molecular formula C13H12FNO3 and a molecular weight of 249.24 g/mol. Its IUPAC name is 2-fluoro-6-[furan-2-ylmethyl(methyl)amino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-[furan-2-ylmethyl(methyl)amino]benzoic acid
PubChem CID79522283
Molecular FormulaC13H12FNO3
Molecular Weight249.24 g/mol
Exact Mass249.08
IUPAC Name2-fluoro-6-[furan-2-ylmethyl(methyl)amino]benzoic acid
SMILESCN(Cc1ccco1)c1cccc(F)c1C(=O)O
InChIInChI=1S/C13H12FNO3/c1-15(8-9-4-3-7-18-9)11-6-2-5-10(14)12(11)13(16)17/h2-7H,8H2,1H3,(H,16,17)
InChIKeyFFOKSGOGVCMLAG-UHFFFAOYSA-N
XLogP2.75
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-6-[furan-2-ylmethyl(methyl)amino]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-[2-fluoro-6-[furan-2-ylmethyl(methyl)amino]phenyl]ethanol
CID 43527064
1-[2-fluoro-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]phenyl]ethanone
CID 43396772
2-fluoro-6-[methyl(3,3,3-trifluoropropyl)amino]benzoic acid
CID 79512136
2-fluoro-6-[methyl(1,3-thiazol-4-ylmethyl)amino]benzoic acid
CID 79522285
2-fluoro-6-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]benzoic acid
CID 79512320
2-fluoro-6-[methyl(oxan-2-ylmethyl)amino]benzoic acid
CID 79522764
2-fluoro-6-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
CID 79522521
3-fluoro-4-[furan-2-ylmethyl(methyl)amino]benzonitrile
CID 43657349
2-bromo-6-[cyclopropyl(furan-2-ylmethyl)amino]benzoic acid
CID 114888165
4-fluoro-N-(furan-2-ylmethyl)-N-methyl-1-benzothiophene-2-carboxamide
CID 43002952
2-[(1-ethylpiperidin-4-yl)-methylamino]-6-fluorobenzoic acid
CID 79512417
4-fluoro-2-[[furan-2-ylmethyl(methyl)amino]methyl]benzoic acid
CID 114014604

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[furan-2-ylmethyl(methyl)amino]benzoic acid?
The IUPAC name of 2-fluoro-6-[furan-2-ylmethyl(methyl)amino]benzoic acid (CID 79522283) is 2-fluoro-6-[furan-2-ylmethyl(methyl)amino]benzoic acid.
What is the SMILES notation for 2-fluoro-6-[furan-2-ylmethyl(methyl)amino]benzoic acid?
The canonical SMILES for 2-fluoro-6-[furan-2-ylmethyl(methyl)amino]benzoic acid is CN(Cc1ccco1)c1cccc(F)c1C(=O)O.
What is the InChIKey of 2-fluoro-6-[furan-2-ylmethyl(methyl)amino]benzoic acid?
The InChIKey is FFOKSGOGVCMLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO3/c1-15(8-9-4-3-7-18-9)11-6-2-5-10(14)12(11)13(16)17/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of 2-fluoro-6-[furan-2-ylmethyl(methyl)amino]benzoic acid?
2-fluoro-6-[furan-2-ylmethyl(methyl)amino]benzoic acid has a molecular weight of 249.24 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[furan-2-ylmethyl(methyl)amino]benzoic acid is sourced from PubChem (CID 79522283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).