4-fluoro-N-(4-propan-2-ylcyclohexyl)cyclohexa-1,3-diene-1-carboxamide

C16H24FNO — CID 164558438

IUPAC4-fluoro-N-(4-propan-2-ylcyclohexyl)cyclohexa-1,3-diene-1-carboxamide
SMILESCC(C)C1CCC(NC(=O)C2=CC=C(F)CC2)CC1
InChIInChI=1S/C16H24FNO/c1-11(2)12-5-9-15(10-6-12)18-16(19)13-3-7-14(17)8-4-13/h3,7,11-12,15H,4-6,8-10H2,1-2H3,(H,18,19)
InChIKeyIJKNMJNNOUYWQA-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.89
Rot. Bonds3

About 4-fluoro-N-(4-propan-2-ylcyclohexyl)cyclohexa-1,3-diene-1-carboxamide

4-fluoro-N-(4-propan-2-ylcyclohexyl)cyclohexa-1,3-diene-1-carboxamide (PubChem CID 164558438) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 4-fluoro-N-(4-propan-2-ylcyclohexyl)cyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-(4-propan-2-ylcyclohexyl)cyclohexa-1,3-diene-1-carboxamide
PubChem CID164558438
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name4-fluoro-N-(4-propan-2-ylcyclohexyl)cyclohexa-1,3-diene-1-carboxamide
SMILESCC(C)C1CCC(NC(=O)C2=CC=C(F)CC2)CC1
InChIInChI=1S/C16H24FNO/c1-11(2)12-5-9-15(10-6-12)18-16(19)13-3-7-14(17)8-4-13/h3,7,11-12,15H,4-6,8-10H2,1-2H3,(H,18,19)
InChIKeyIJKNMJNNOUYWQA-UHFFFAOYSA-N
XLogP3.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-N-[4-(trifluoromethyl)cyclohexyl]cyclohexene-1-carboxamide
CID 70897200
4-(5-fluoropentyl)-5-methyl-4a,5,6,7,8,8a-hexahydro-1H-quinolin-2-one
CID 123513234
N-(4,4-dimethylcyclohexyl)-3-fluorocycloocta-1,3,7-triene-1-carboxamide
CID 123688474
2-(2-fluoro-3-prop-1-en-2-ylcycloprop-2-en-1-yl)-N-pentan-3-ylbut-2-enamide
CID 123711811
(2E,5E)-N-[4-[[[(2S)-1,1-difluoropropan-2-yl]amino]methyl]cyclohexyl]-6-fluoro-2-methyl-4-methylidenehepta-2,5-dienamide
CID 129276506
(1R,2S,5R)-N-(3-fluorocyclohexa-2,4-dien-1-yl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 132235713
(2E)-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dienamide
CID 144683872
(2E)-4-fluoro-N-(4-methylcyclohexyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
CID 144683902
6-cyclohexa-1,5-dien-1-yl-N-(4-fluoro-4-methylcyclohexyl)hexanamide
CID 154665755
N-[1-[2-fluoro-3-(2-methylpropanoyl)cyclopent-2-en-1-yl]propan-2-yl]cyclohexene-1-carboxamide
CID 166882235
(2E,4E,6E,8E)-N-(4-fluorocyclohexyl)-3,7-dimethyl-9-(2,3,3,6,6-pentamethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
CID 169177743
(2E,4E,6E,8E)-N-(4-fluorocyclohexyl)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)nona-2,4,6,8-tetraenamide
CID 176773559

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-propan-2-ylcyclohexyl)cyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 4-fluoro-N-(4-propan-2-ylcyclohexyl)cyclohexa-1,3-diene-1-carboxamide (CID 164558438) is 4-fluoro-N-(4-propan-2-ylcyclohexyl)cyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 4-fluoro-N-(4-propan-2-ylcyclohexyl)cyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 4-fluoro-N-(4-propan-2-ylcyclohexyl)cyclohexa-1,3-diene-1-carboxamide is CC(C)C1CCC(NC(=O)C2=CC=C(F)CC2)CC1.
What is the InChIKey of 4-fluoro-N-(4-propan-2-ylcyclohexyl)cyclohexa-1,3-diene-1-carboxamide?
The InChIKey is IJKNMJNNOUYWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-11(2)12-5-9-15(10-6-12)18-16(19)13-3-7-14(17)8-4-13/h3,7,11-12,15H,4-6,8-10H2,1-2H3,(H,18,19).
What are the key properties of 4-fluoro-N-(4-propan-2-ylcyclohexyl)cyclohexa-1,3-diene-1-carboxamide?
4-fluoro-N-(4-propan-2-ylcyclohexyl)cyclohexa-1,3-diene-1-carboxamide has a molecular weight of 265.37 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-propan-2-ylcyclohexyl)cyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 164558438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).