2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-2-[1-(difluoromethyl)imidazol-2-yl]-1-phenylethyl]acetamide

C19H21F2N3O — CID 95141872

IUPAC2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-2-[1-(difluoromethyl)imidazol-2-yl]-1-phenylethyl]acetamide
SMILESO=C(C[C@H]1C=CCC1)N[C@@H](Cc1nccn1C(F)F)c1ccccc1
InChIInChI=1S/C19H21F2N3O/c20-19(21)24-11-10-22-17(24)13-16(15-8-2-1-3-9-15)23-18(25)12-14-6-4-5-7-14/h1-4,6,8-11,14,16,19H,5,7,12-13H2,(H,23,25)/t14-,16-/m0/s1
InChIKeyFZDKQGGTURVRMO-HOCLYGCPSA-N
MW345.39 g/mol
LogP4.03
Rot. Bonds7

About 2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-2-[1-(difluoromethyl)imidazol-2-yl]-1-phenylethyl]acetamide

2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-2-[1-(difluoromethyl)imidazol-2-yl]-1-phenylethyl]acetamide (PubChem CID 95141872) has the molecular formula C19H21F2N3O and a molecular weight of 345.39 g/mol. Its IUPAC name is 2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-2-[1-(difluoromethyl)imidazol-2-yl]-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-2-[1-(difluoromethyl)imidazol-2-yl]-1-phenylethyl]acetamide
PubChem CID95141872
Molecular FormulaC19H21F2N3O
Molecular Weight345.39 g/mol
Exact Mass345.17
IUPAC Name2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-2-[1-(difluoromethyl)imidazol-2-yl]-1-phenylethyl]acetamide
SMILESO=C(C[C@H]1C=CCC1)N[C@@H](Cc1nccn1C(F)F)c1ccccc1
InChIInChI=1S/C19H21F2N3O/c20-19(21)24-11-10-22-17(24)13-16(15-8-2-1-3-9-15)23-18(25)12-14-6-4-5-7-14/h1-4,6,8-11,14,16,19H,5,7,12-13H2,(H,23,25)/t14-,16-/m0/s1
InChIKeyFZDKQGGTURVRMO-HOCLYGCPSA-N
XLogP4.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-2-[1-(difluoromethyl)imidazol-2-yl]-1-phenylethyl]acetamide 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

2-[(1S)-cyclopent-2-en-1-yl]-N-[(1R)-1,2-diphenylethyl]acetamide
CID 34189438
(3S)-3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-3-(2-methylphenyl)propanoic acid
CID 129415150
2-[(1R)-cyclopent-2-en-1-yl]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide
CID 30906754
2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 34760296
N-[(1S)-2-(1-methylimidazol-2-yl)-1-phenylethyl]cyclobutanecarboxamide
CID 97218361
2-cyclopent-2-en-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 47008777
(1R,2S,4S)-N-[(1S)-2-(1-methylimidazol-2-yl)-1-phenylethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98201288
trans-(1S,2S)-N-[(1S)-2-(1-methylimidazol-2-yl)-1-phenylethyl]-2-phenylcyclopropane-1-carboxamide
CID 96568567
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(1-phenylethyl)urea
CID 86998907
(2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoic acid
CID 78972953
2-cyclopent-2-en-1-yl-N-(4-phenylcyclohexyl)acetamide
CID 75746940
methyl (3S)-3-(2-chlorophenyl)-3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]propanoate
CID 38591349

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-2-[1-(difluoromethyl)imidazol-2-yl]-1-phenylethyl]acetamide?
The IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-2-[1-(difluoromethyl)imidazol-2-yl]-1-phenylethyl]acetamide (CID 95141872) is 2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-2-[1-(difluoromethyl)imidazol-2-yl]-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-2-[1-(difluoromethyl)imidazol-2-yl]-1-phenylethyl]acetamide?
The canonical SMILES for 2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-2-[1-(difluoromethyl)imidazol-2-yl]-1-phenylethyl]acetamide is O=C(C[C@H]1C=CCC1)N[C@@H](Cc1nccn1C(F)F)c1ccccc1.
What is the InChIKey of 2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-2-[1-(difluoromethyl)imidazol-2-yl]-1-phenylethyl]acetamide?
The InChIKey is FZDKQGGTURVRMO-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H21F2N3O/c20-19(21)24-11-10-22-17(24)13-16(15-8-2-1-3-9-15)23-18(25)12-14-6-4-5-7-14/h1-4,6,8-11,14,16,19H,5,7,12-13H2,(H,23,25)/t14-,16-/m0/s1.
What are the key properties of 2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-2-[1-(difluoromethyl)imidazol-2-yl]-1-phenylethyl]acetamide?
2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-2-[1-(difluoromethyl)imidazol-2-yl]-1-phenylethyl]acetamide has a molecular weight of 345.39 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-2-[1-(difluoromethyl)imidazol-2-yl]-1-phenylethyl]acetamide is sourced from PubChem (CID 95141872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).