N-[2-(4-fluorophenyl)ethyl]-4-(furan-2-yl)-4-oxobutanamide

C16H16FNO3 — CID 110389848

IUPACN-[2-(4-fluorophenyl)ethyl]-4-(furan-2-yl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccco1)NCCc1ccc(F)cc1
InChIInChI=1S/C16H16FNO3/c17-13-5-3-12(4-6-13)9-10-18-16(20)8-7-14(19)15-2-1-11-21-15/h1-6,11H,7-10H2,(H,18,20)
InChIKeyPMFBFBPHLISSAN-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.74
Rot. Bonds7

About N-[2-(4-fluorophenyl)ethyl]-4-(furan-2-yl)-4-oxobutanamide

N-[2-(4-fluorophenyl)ethyl]-4-(furan-2-yl)-4-oxobutanamide (PubChem CID 110389848) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-4-(furan-2-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-4-(furan-2-yl)-4-oxobutanamide
PubChem CID110389848
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-4-(furan-2-yl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccco1)NCCc1ccc(F)cc1
InChIInChI=1S/C16H16FNO3/c17-13-5-3-12(4-6-13)9-10-18-16(20)8-7-14(19)15-2-1-11-21-15/h1-6,11H,7-10H2,(H,18,20)
InChIKeyPMFBFBPHLISSAN-UHFFFAOYSA-N
XLogP2.74
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-fluorophenyl)ethyl]-4-(furan-2-yl)-4-oxobutanamide 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

N-[2-(4-fluorophenyl)ethylcarbamoyl]furan-2-carboxamide
CID 110866126
4-(2-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-oxobutanamide
CID 110411259
N-butyl-4-(furan-2-yl)-4-oxobutanamide
CID 110389809
4-(furan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]-4-oxobutanamide
CID 110389850
N-[2-(4-fluorophenyl)ethyl]-4-phenylbutanamide
CID 2288121
N-[2-(4-fluorophenyl)ethyl]-3-(2-phenylethylamino)propanamide
CID 109024236
3-(4-ethylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 94866860
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
3-(3-aminophenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 28713362
N-[2-[4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]ethyl]furan-2-carboxamide
CID 34608906
N-[2-(4-fluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60852875
N-[3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46407349

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-(furan-2-yl)-4-oxobutanamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-(furan-2-yl)-4-oxobutanamide (CID 110389848) is N-[2-(4-fluorophenyl)ethyl]-4-(furan-2-yl)-4-oxobutanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-4-(furan-2-yl)-4-oxobutanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-4-(furan-2-yl)-4-oxobutanamide is O=C(CCC(=O)c1ccco1)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-4-(furan-2-yl)-4-oxobutanamide?
The InChIKey is PMFBFBPHLISSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c17-13-5-3-12(4-6-13)9-10-18-16(20)8-7-14(19)15-2-1-11-21-15/h1-6,11H,7-10H2,(H,18,20).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-4-(furan-2-yl)-4-oxobutanamide?
N-[2-(4-fluorophenyl)ethyl]-4-(furan-2-yl)-4-oxobutanamide has a molecular weight of 289.31 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-4-(furan-2-yl)-4-oxobutanamide is sourced from PubChem (CID 110389848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).