2-[(5-ethylfuran-2-carbonyl)amino]-5-fluorobenzoic acid

C14H12FNO4 — CID 43172269

IUPAC2-[(5-ethylfuran-2-carbonyl)amino]-5-fluorobenzoic acid
SMILESCCc1ccc(C(=O)Nc2ccc(F)cc2C(=O)O)o1
InChIInChI=1S/C14H12FNO4/c1-2-9-4-6-12(20-9)13(17)16-11-5-3-8(15)7-10(11)14(18)19/h3-7H,2H2,1H3,(H,16,17)(H,18,19)
InChIKeyFJXQHCNYOYOSMX-UHFFFAOYSA-N
MW277.25 g/mol
LogP2.93
Rot. Bonds4

About 2-[(5-ethylfuran-2-carbonyl)amino]-5-fluorobenzoic acid

2-[(5-ethylfuran-2-carbonyl)amino]-5-fluorobenzoic acid (PubChem CID 43172269) has the molecular formula C14H12FNO4 and a molecular weight of 277.25 g/mol. Its IUPAC name is 2-[(5-ethylfuran-2-carbonyl)amino]-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(5-ethylfuran-2-carbonyl)amino]-5-fluorobenzoic acid
PubChem CID43172269
Molecular FormulaC14H12FNO4
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC Name2-[(5-ethylfuran-2-carbonyl)amino]-5-fluorobenzoic acid
SMILESCCc1ccc(C(=O)Nc2ccc(F)cc2C(=O)O)o1
InChIInChI=1S/C14H12FNO4/c1-2-9-4-6-12(20-9)13(17)16-11-5-3-8(15)7-10(11)14(18)19/h3-7H,2H2,1H3,(H,16,17)(H,18,19)
InChIKeyFJXQHCNYOYOSMX-UHFFFAOYSA-N
XLogP2.93
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(5-ethylfuran-2-carbonyl)amino]-5-fluorobenzoic 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

5-bromo-2-[(5-ethylfuran-2-carbonyl)amino]benzoic acid
CID 62073783
5-fluoro-2-[(5-methylfuran-2-carbonyl)amino]benzoic acid
CID 28779501
5-ethyl-N-(4-fluoro-2-methoxyphenyl)furan-2-carboxamide
CID 47170065
5-ethyl-N-(3-fluorophenyl)furan-2-carboxamide
CID 110697812
4-fluoro-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]benzoic acid
CID 43358560
4-[(5-ethylfuran-2-carbonyl)amino]-3-methylbenzoic acid
CID 43351217
2-[(2-amino-5-fluorobenzoyl)amino]-5-fluorobenzoic acid
CID 61157616
5-ethyl-N-(2-hydroxy-4-methylphenyl)furan-2-carboxamide
CID 112726930
N-(4-amino-2-chlorophenyl)-5-ethylfuran-2-carboxamide
CID 79095779
5-ethyl-N-(3-fluoro-4-methylphenyl)furan-2-carboxamide
CID 46422285
N-[1-(2,4-difluorophenyl)ethyl]-5-ethylfuran-2-carboxamide
CID 86930731
N-(2-amino-5-methylphenyl)-5-ethylfuran-2-carboxamide
CID 112557315

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylfuran-2-carbonyl)amino]-5-fluorobenzoic acid?
The IUPAC name of 2-[(5-ethylfuran-2-carbonyl)amino]-5-fluorobenzoic acid (CID 43172269) is 2-[(5-ethylfuran-2-carbonyl)amino]-5-fluorobenzoic acid.
What is the SMILES notation for 2-[(5-ethylfuran-2-carbonyl)amino]-5-fluorobenzoic acid?
The canonical SMILES for 2-[(5-ethylfuran-2-carbonyl)amino]-5-fluorobenzoic acid is CCc1ccc(C(=O)Nc2ccc(F)cc2C(=O)O)o1.
What is the InChIKey of 2-[(5-ethylfuran-2-carbonyl)amino]-5-fluorobenzoic acid?
The InChIKey is FJXQHCNYOYOSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4/c1-2-9-4-6-12(20-9)13(17)16-11-5-3-8(15)7-10(11)14(18)19/h3-7H,2H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(5-ethylfuran-2-carbonyl)amino]-5-fluorobenzoic acid?
2-[(5-ethylfuran-2-carbonyl)amino]-5-fluorobenzoic acid has a molecular weight of 277.25 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylfuran-2-carbonyl)amino]-5-fluorobenzoic acid is sourced from PubChem (CID 43172269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).