N-[1-[2-fluoro-3-(2-methylpropanoyl)cyclopent-2-en-1-yl]propan-2-yl]cyclohexene-1-carboxamide

C19H28FNO2 — CID 166882235

IUPACN-[1-[2-fluoro-3-(2-methylpropanoyl)cyclopent-2-en-1-yl]propan-2-yl]cyclohexene-1-carboxamide
SMILESCC(CC1CCC(C(=O)C(C)C)=C1F)NC(=O)C1=CCCCC1
InChIInChI=1S/C19H28FNO2/c1-12(2)18(22)16-10-9-15(17(16)20)11-13(3)21-19(23)14-7-5-4-6-8-14/h7,12-13,15H,4-6,8-11H2,1-3H3,(H,21,23)
InChIKeyPQQXUYSWQHWXCL-UHFFFAOYSA-N
MW321.44 g/mol
LogP4.24
Rot. Bonds6

About N-[1-[2-fluoro-3-(2-methylpropanoyl)cyclopent-2-en-1-yl]propan-2-yl]cyclohexene-1-carboxamide

N-[1-[2-fluoro-3-(2-methylpropanoyl)cyclopent-2-en-1-yl]propan-2-yl]cyclohexene-1-carboxamide (PubChem CID 166882235) has the molecular formula C19H28FNO2 and a molecular weight of 321.44 g/mol. Its IUPAC name is N-[1-[2-fluoro-3-(2-methylpropanoyl)cyclopent-2-en-1-yl]propan-2-yl]cyclohexene-1-carboxamide.

Molecular Properties

Compound NameN-[1-[2-fluoro-3-(2-methylpropanoyl)cyclopent-2-en-1-yl]propan-2-yl]cyclohexene-1-carboxamide
PubChem CID166882235
Molecular FormulaC19H28FNO2
Molecular Weight321.44 g/mol
Exact Mass321.21
IUPAC NameN-[1-[2-fluoro-3-(2-methylpropanoyl)cyclopent-2-en-1-yl]propan-2-yl]cyclohexene-1-carboxamide
SMILESCC(CC1CCC(C(=O)C(C)C)=C1F)NC(=O)C1=CCCCC1
InChIInChI=1S/C19H28FNO2/c1-12(2)18(22)16-10-9-15(17(16)20)11-13(3)21-19(23)14-7-5-4-6-8-14/h7,12-13,15H,4-6,8-11H2,1-3H3,(H,21,23)
InChIKeyPQQXUYSWQHWXCL-UHFFFAOYSA-N
XLogP4.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-[2-fluoro-3-(2-methylpropanoyl)cyclopent-2-en-1-yl]propan-2-yl]cyclohexene-1-carboxamide with MolForge

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Related Compounds

2-(4-oxo-5-pentylcyclopent-2-en-1-yl)-N-propan-2-ylacetamide
CID 44562699
(1S,4R,5R,6S)-N-(2-methylpropyl)-5-[(E)-3-(2-methylpropylamino)-3-oxoprop-1-enyl]-4,6-dipentylcyclohex-2-ene-1-carboxamide
CID 11259394
(1S,4R,5R,6S)-N-(2-methylpropyl)-6-[(E)-3-(2-methylpropylamino)-3-oxoprop-1-enyl]-4,5-dipentylcyclohex-2-ene-1-carboxamide
CID 53243800
N-[(1R,2R,4E,8E)-2,6,6,9-tetramethyl-3-oxocycloundeca-4,8-dien-1-yl]acetamide
CID 52941926
(1S,5R)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-8-oxo-4-propan-2-ylspiro[4.5]deca-3,9-diene-1-carboxamide
CID 127042780
N-(2-methylpropyl)-5-[3-(2-methylpropylamino)-3-oxoprop-1-enyl]-4,6-dipentylcyclohex-2-ene-1-carboxamide
CID 72773054
(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-cyclopropyl-2,2-difluoro-4-(4-methyl-5-oxocyclohex-3-en-1-yl)pent-4-enamide
CID 168720288
(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

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-fluoro-3-(2-methylpropanoyl)cyclopent-2-en-1-yl]propan-2-yl]cyclohexene-1-carboxamide?
The IUPAC name of N-[1-[2-fluoro-3-(2-methylpropanoyl)cyclopent-2-en-1-yl]propan-2-yl]cyclohexene-1-carboxamide (CID 166882235) is N-[1-[2-fluoro-3-(2-methylpropanoyl)cyclopent-2-en-1-yl]propan-2-yl]cyclohexene-1-carboxamide.
What is the SMILES notation for N-[1-[2-fluoro-3-(2-methylpropanoyl)cyclopent-2-en-1-yl]propan-2-yl]cyclohexene-1-carboxamide?
The canonical SMILES for N-[1-[2-fluoro-3-(2-methylpropanoyl)cyclopent-2-en-1-yl]propan-2-yl]cyclohexene-1-carboxamide is CC(CC1CCC(C(=O)C(C)C)=C1F)NC(=O)C1=CCCCC1.
What is the InChIKey of N-[1-[2-fluoro-3-(2-methylpropanoyl)cyclopent-2-en-1-yl]propan-2-yl]cyclohexene-1-carboxamide?
The InChIKey is PQQXUYSWQHWXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FNO2/c1-12(2)18(22)16-10-9-15(17(16)20)11-13(3)21-19(23)14-7-5-4-6-8-14/h7,12-13,15H,4-6,8-11H2,1-3H3,(H,21,23).
What are the key properties of N-[1-[2-fluoro-3-(2-methylpropanoyl)cyclopent-2-en-1-yl]propan-2-yl]cyclohexene-1-carboxamide?
N-[1-[2-fluoro-3-(2-methylpropanoyl)cyclopent-2-en-1-yl]propan-2-yl]cyclohexene-1-carboxamide has a molecular weight of 321.44 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-fluoro-3-(2-methylpropanoyl)cyclopent-2-en-1-yl]propan-2-yl]cyclohexene-1-carboxamide is sourced from PubChem (CID 166882235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).