5-[[[2-(3-fluorophenyl)acetyl]amino]methyl]furan-2-carboxylic acid

C14H12FNO4 — CID 84586226

IUPAC5-[[[2-(3-fluorophenyl)acetyl]amino]methyl]furan-2-carboxylic acid
SMILESO=C(Cc1cccc(F)c1)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C14H12FNO4/c15-10-3-1-2-9(6-10)7-13(17)16-8-11-4-5-12(20-11)14(18)19/h1-6H,7-8H2,(H,16,17)(H,18,19)
InChIKeyFDXADKJQCOLACY-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.98
Rot. Bonds5

About 5-[[[2-(3-fluorophenyl)acetyl]amino]methyl]furan-2-carboxylic acid

5-[[[2-(3-fluorophenyl)acetyl]amino]methyl]furan-2-carboxylic acid (PubChem CID 84586226) has the molecular formula C14H12FNO4 and a molecular weight of 277.25 g/mol. Its IUPAC name is 5-[[[2-(3-fluorophenyl)acetyl]amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[2-(3-fluorophenyl)acetyl]amino]methyl]furan-2-carboxylic acid
PubChem CID84586226
Molecular FormulaC14H12FNO4
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC Name5-[[[2-(3-fluorophenyl)acetyl]amino]methyl]furan-2-carboxylic acid
SMILESO=C(Cc1cccc(F)c1)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C14H12FNO4/c15-10-3-1-2-9(6-10)7-13(17)16-8-11-4-5-12(20-11)14(18)19/h1-6H,7-8H2,(H,16,17)(H,18,19)
InChIKeyFDXADKJQCOLACY-UHFFFAOYSA-N
XLogP1.98
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[[2-(3-methylphenyl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 75356368
5-[(3-fluorophenyl)methyl]furan-2-carboxylic acid
CID 83641773
5-[[[2-(9-methylcarbazol-3-yl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 90652793
2-(3-fluorophenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide
CID 17398398
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-(3-fluorophenyl)acetamide
CID 24586235
2-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]acetamide
CID 47161047
5-[[(2-benzylsulfanylacetyl)amino]methyl]furan-2-carboxylic acid
CID 79993972
tert-butyl N-[[5-[(3-fluorophenyl)methylcarbamoyl]furan-2-yl]methyl]carbamate
CID 71995210
5-[[3-(4-ethylphenyl)propanoylamino]methyl]furan-2-carboxylic acid
CID 119246024
2-(3-fluorophenyl)-N-(1,3-oxazol-4-ylmethyl)acetamide
CID 110718968
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)acetamide
CID 110780014
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(3-fluorophenyl)acetamide
CID 105062315

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(3-fluorophenyl)acetyl]amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[[2-(3-fluorophenyl)acetyl]amino]methyl]furan-2-carboxylic acid (CID 84586226) is 5-[[[2-(3-fluorophenyl)acetyl]amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[[2-(3-fluorophenyl)acetyl]amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[[2-(3-fluorophenyl)acetyl]amino]methyl]furan-2-carboxylic acid is O=C(Cc1cccc(F)c1)NCc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[[[2-(3-fluorophenyl)acetyl]amino]methyl]furan-2-carboxylic acid?
The InChIKey is FDXADKJQCOLACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4/c15-10-3-1-2-9(6-10)7-13(17)16-8-11-4-5-12(20-11)14(18)19/h1-6H,7-8H2,(H,16,17)(H,18,19).
What are the key properties of 5-[[[2-(3-fluorophenyl)acetyl]amino]methyl]furan-2-carboxylic acid?
5-[[[2-(3-fluorophenyl)acetyl]amino]methyl]furan-2-carboxylic acid has a molecular weight of 277.25 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(3-fluorophenyl)acetyl]amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 84586226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).