3-(4-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]butanamide

C16H20FNO2 — CID 111661196

IUPAC3-(4-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]butanamide
SMILESCC(CC(=O)N[C@@H]1C=C[C@H](CO)C1)c1ccc(F)cc1
InChIInChI=1S/C16H20FNO2/c1-11(13-3-5-14(17)6-4-13)8-16(20)18-15-7-2-12(9-15)10-19/h2-7,11-12,15,19H,8-10H2,1H3,(H,18,20)/t11?,12-,15+/m0/s1
InChIKeyVNHFJYIXBFLGMV-WQKBPTQTSA-N
MW277.34 g/mol
LogP2.37
Rot. Bonds5

About 3-(4-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]butanamide

3-(4-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]butanamide (PubChem CID 111661196) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]butanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]butanamide
PubChem CID111661196
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name3-(4-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]butanamide
SMILESCC(CC(=O)N[C@@H]1C=C[C@H](CO)C1)c1ccc(F)cc1
InChIInChI=1S/C16H20FNO2/c1-11(13-3-5-14(17)6-4-13)8-16(20)18-15-7-2-12(9-15)10-19/h2-7,11-12,15,19H,8-10H2,1H3,(H,18,20)/t11?,12-,15+/m0/s1
InChIKeyVNHFJYIXBFLGMV-WQKBPTQTSA-N
XLogP2.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(4-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]butanamide 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-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(3-methoxyphenyl)butanamide
CID 111972017
3-acetamido-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(4-methylphenyl)propanamide
CID 111661619
(2R)-2-[3-(4-fluorophenyl)butanoylamino]propanoic acid
CID 119244525
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(4-methylphenyl)ethyl]urea
CID 111630678
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-methylphenyl)sulfanylacetamide
CID 111661460
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-[4-(2-methylpropoxy)phenyl]acetamide
CID 111661167
N-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide
CID 10130076
3-(4-fluorophenyl)-N-(3-hydroxypropyl)butanamide
CID 110901174
1-(4-fluoro-2-methoxyphenyl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 111631374
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(1-pyridin-4-ylethyl)urea
CID 111630344
3-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]butanamide;hydrochloride
CID 120889158
2-(2,5-difluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]cyclopropane-1-carboxamide
CID 111697111

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]butanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]butanamide (CID 111661196) is 3-(4-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]butanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]butanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]butanamide is CC(CC(=O)N[C@@H]1C=C[C@H](CO)C1)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]butanamide?
The InChIKey is VNHFJYIXBFLGMV-WQKBPTQTSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-11(13-3-5-14(17)6-4-13)8-16(20)18-15-7-2-12(9-15)10-19/h2-7,11-12,15,19H,8-10H2,1H3,(H,18,20)/t11?,12-,15+/m0/s1.
What are the key properties of 3-(4-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]butanamide?
3-(4-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]butanamide has a molecular weight of 277.34 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]butanamide is sourced from PubChem (CID 111661196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).