[2-(benzylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate

C20H16FNO4 — CID 24792279

IUPAC[2-(benzylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate
SMILESO=C(OC(C(=O)NCc1ccccc1)c1ccccc1F)c1ccco1
InChIInChI=1S/C20H16FNO4/c21-16-10-5-4-9-15(16)18(26-20(24)17-11-6-12-25-17)19(23)22-13-14-7-2-1-3-8-14/h1-12,18H,13H2,(H,22,23)
InChIKeyRCKDKFKUKHCOMS-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.63
Rot. Bonds6

About [2-(benzylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate

[2-(benzylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate (PubChem CID 24792279) has the molecular formula C20H16FNO4 and a molecular weight of 353.35 g/mol. Its IUPAC name is [2-(benzylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-(benzylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate
PubChem CID24792279
Molecular FormulaC20H16FNO4
Molecular Weight353.35 g/mol
Exact Mass353.11
IUPAC Name[2-(benzylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate
SMILESO=C(OC(C(=O)NCc1ccccc1)c1ccccc1F)c1ccco1
InChIInChI=1S/C20H16FNO4/c21-16-10-5-4-9-15(16)18(26-20(24)17-11-6-12-25-17)19(23)22-13-14-7-2-1-3-8-14/h1-12,18H,13H2,(H,22,23)
InChIKeyRCKDKFKUKHCOMS-UHFFFAOYSA-N
XLogP3.63
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(benzylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate 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

[(1S)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl] furan-2-carboxylate
CID 51508279
[(1R)-2-(benzylamino)-1-(2-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate
CID 1470265
[(1R)-2-[(4-methylphenyl)methylamino]-2-oxo-1-phenylethyl] furan-2-carboxylate
CID 1431793
[(1R)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate
CID 1470080
[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate
CID 51687864
[(1S)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate
CID 51687865
[1-(benzylamino)-3-methyl-1-oxobutan-2-yl] furan-2-carboxylate
CID 647241
[(1S)-1-(2-fluorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 1470267
[(1R)-1-(4-methoxyphenyl)-2-[(4-methylphenyl)methylamino]-2-oxoethyl] furan-2-carboxylate
CID 1432029
[1-(4-fluorophenyl)-2-oxo-2-(thiophen-2-ylmethylamino)ethyl] furan-2-carboxylate
CID 648857
[(2S)-3-methyl-1-[(4-methylphenyl)methylamino]-1-oxobutan-2-yl] furan-2-carboxylate
CID 1431782
(2S)-N-[(4-carbamimidoylphenyl)methyl]-2-(2-fluorophenyl)-2-methoxyacetamide
CID 69288846

Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate?
The IUPAC name of [2-(benzylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate (CID 24792279) is [2-(benzylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate.
What is the SMILES notation for [2-(benzylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate?
The canonical SMILES for [2-(benzylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate is O=C(OC(C(=O)NCc1ccccc1)c1ccccc1F)c1ccco1.
What is the InChIKey of [2-(benzylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate?
The InChIKey is RCKDKFKUKHCOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO4/c21-16-10-5-4-9-15(16)18(26-20(24)17-11-6-12-25-17)19(23)22-13-14-7-2-1-3-8-14/h1-12,18H,13H2,(H,22,23).
What are the key properties of [2-(benzylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate?
[2-(benzylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate has a molecular weight of 353.35 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate is sourced from PubChem (CID 24792279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).