N-cyclopropyl-2,2-difluoro-4-(4-methyl-5-oxocyclohex-3-en-1-yl)pent-4-enamide

C15H19F2NO2 — CID 168720288

IUPACN-cyclopropyl-2,2-difluoro-4-(4-methyl-5-oxocyclohex-3-en-1-yl)pent-4-enamide
SMILESC=C(CC(F)(F)C(=O)NC1CC1)C1CC=C(C)C(=O)C1
InChIInChI=1S/C15H19F2NO2/c1-9-3-4-11(7-13(9)19)10(2)8-15(16,17)14(20)18-12-5-6-12/h3,11-12H,2,4-8H2,1H3,(H,18,20)
InChIKeyCZLVQBSXIQLSTC-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.77
Rot. Bonds5

About N-cyclopropyl-2,2-difluoro-4-(4-methyl-5-oxocyclohex-3-en-1-yl)pent-4-enamide

N-cyclopropyl-2,2-difluoro-4-(4-methyl-5-oxocyclohex-3-en-1-yl)pent-4-enamide (PubChem CID 168720288) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is N-cyclopropyl-2,2-difluoro-4-(4-methyl-5-oxocyclohex-3-en-1-yl)pent-4-enamide.

Molecular Properties

Compound NameN-cyclopropyl-2,2-difluoro-4-(4-methyl-5-oxocyclohex-3-en-1-yl)pent-4-enamide
PubChem CID168720288
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC NameN-cyclopropyl-2,2-difluoro-4-(4-methyl-5-oxocyclohex-3-en-1-yl)pent-4-enamide
SMILESC=C(CC(F)(F)C(=O)NC1CC1)C1CC=C(C)C(=O)C1
InChIInChI=1S/C15H19F2NO2/c1-9-3-4-11(7-13(9)19)10(2)8-15(16,17)14(20)18-12-5-6-12/h3,11-12H,2,4-8H2,1H3,(H,18,20)
InChIKeyCZLVQBSXIQLSTC-UHFFFAOYSA-N
XLogP2.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-2,2-difluoro-4-(4-methyl-5-oxocyclohex-3-en-1-yl)pent-4-enamide 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

(S)-N-butyl-2,2-difluoro-4-(4-methyl-5-oxocyclohex-3-en-1-yl)pent-4-enamide
CID 168720283
(S)-2,2-difluoro-N-isopropyl-4-(4-methyl-5-oxocyclohex-3-en-1-yl)pent-4-enamide
CID 168720284
(S)-N-(tert-butyl)-2,2-difluoro-4-(4-methyl-5-oxocyclohex-3-en-1-yl)pent-4-enamide
CID 168720285
(S)-N-cyclopentyl-2,2-difluoro-4-(4-methyl-5-oxocyclohex-3-en-1-yl)pent-4-enamide
CID 168720289
(S)-N-cycloheptyl-2,2-difluoro-4-(4-methyl-5-oxocyclohex-3-en-1-yl)pent-4-enamide
CID 168720290
2,2,2-trifluoro-N-[2-(5-methyl-3,6-dioxo-2-propan-2-ylcyclohexa-1,4-dien-1-yl)ethyl]acetamide
CID 22506879
3-amino-N-[4-(trifluoromethyl)cyclohexyl]cyclohexene-1-carboxamide
CID 70897200
(4R)-4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexene-1-carboxamide
CID 89423528
5-(2-aminocyclopropyl)-N-(6,6-difluorohexan-3-yl)cyclohexa-1,3-diene-1-carboxamide
CID 144605395
N-[1-[2-fluoro-3-(2-methylpropanoyl)cyclopent-2-en-1-yl]propan-2-yl]cyclohexene-1-carboxamide
CID 166882235
N-tert-butyl-2,2-difluoro-4-[(1S)-4-methyl-5-oxocyclohex-3-en-1-yl]pent-4-enamide
CID 170555188
2,2-difluoro-4-[(1S)-4-methyl-5-oxocyclohex-3-en-1-yl]-N-propan-2-ylpent-4-enamide
CID 170555197

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,2-difluoro-4-(4-methyl-5-oxocyclohex-3-en-1-yl)pent-4-enamide?
The IUPAC name of N-cyclopropyl-2,2-difluoro-4-(4-methyl-5-oxocyclohex-3-en-1-yl)pent-4-enamide (CID 168720288) is N-cyclopropyl-2,2-difluoro-4-(4-methyl-5-oxocyclohex-3-en-1-yl)pent-4-enamide.
What is the SMILES notation for N-cyclopropyl-2,2-difluoro-4-(4-methyl-5-oxocyclohex-3-en-1-yl)pent-4-enamide?
The canonical SMILES for N-cyclopropyl-2,2-difluoro-4-(4-methyl-5-oxocyclohex-3-en-1-yl)pent-4-enamide is C=C(CC(F)(F)C(=O)NC1CC1)C1CC=C(C)C(=O)C1.
What is the InChIKey of N-cyclopropyl-2,2-difluoro-4-(4-methyl-5-oxocyclohex-3-en-1-yl)pent-4-enamide?
The InChIKey is CZLVQBSXIQLSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-9-3-4-11(7-13(9)19)10(2)8-15(16,17)14(20)18-12-5-6-12/h3,11-12H,2,4-8H2,1H3,(H,18,20).
What are the key properties of N-cyclopropyl-2,2-difluoro-4-(4-methyl-5-oxocyclohex-3-en-1-yl)pent-4-enamide?
N-cyclopropyl-2,2-difluoro-4-(4-methyl-5-oxocyclohex-3-en-1-yl)pent-4-enamide has a molecular weight of 283.32 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,2-difluoro-4-(4-methyl-5-oxocyclohex-3-en-1-yl)pent-4-enamide is sourced from PubChem (CID 168720288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).