N-(4-acetylcyclohexyl)-4,4-difluorocyclohexane-1-carboxamide

C15H23F2NO2 — CID 58356090

IUPACN-(4-acetylcyclohexyl)-4,4-difluorocyclohexane-1-carboxamide
SMILESCC(=O)C1CCC(NC(=O)C2CCC(F)(F)CC2)CC1
InChIInChI=1S/C15H23F2NO2/c1-10(19)11-2-4-13(5-3-11)18-14(20)12-6-8-15(16,17)9-7-12/h11-13H,2-9H2,1H3,(H,18,20)
InChIKeyYFODQONXQQKLEW-UHFFFAOYSA-N
MW287.35 g/mol
LogP3.08
Rot. Bonds3

About N-(4-acetylcyclohexyl)-4,4-difluorocyclohexane-1-carboxamide

N-(4-acetylcyclohexyl)-4,4-difluorocyclohexane-1-carboxamide (PubChem CID 58356090) has the molecular formula C15H23F2NO2 and a molecular weight of 287.35 g/mol. Its IUPAC name is N-(4-acetylcyclohexyl)-4,4-difluorocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetylcyclohexyl)-4,4-difluorocyclohexane-1-carboxamide
PubChem CID58356090
Molecular FormulaC15H23F2NO2
Molecular Weight287.35 g/mol
Exact Mass287.17
IUPAC NameN-(4-acetylcyclohexyl)-4,4-difluorocyclohexane-1-carboxamide
SMILESCC(=O)C1CCC(NC(=O)C2CCC(F)(F)CC2)CC1
InChIInChI=1S/C15H23F2NO2/c1-10(19)11-2-4-13(5-3-11)18-14(20)12-6-8-15(16,17)9-7-12/h11-13H,2-9H2,1H3,(H,18,20)
InChIKeyYFODQONXQQKLEW-UHFFFAOYSA-N
XLogP3.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-acetyl-N-(4-tert-butyl-4-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide
CID 122679814
N-(1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide
CID 25236585
4,4-difluoro-N-spiro[3.3]heptan-2-ylcyclohexane-1-carboxamide
CID 142516545
N-(4,4-difluorocyclohexyl)oxolane-3-carboxamide
CID 121194076
N-(azepan-4-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 107172304
4,4-difluoro-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 106995432
1-(4-acetylcyclohexyl)-3-methylurea
CID 58664366
methyl 4-(cyclopropanecarbonylamino)cyclohexane-1-carboxylate
CID 115617179
N-(4,4-dimethylcyclohexyl)-4-methylcyclohexane-1-carboxamide
CID 141160516
4-O-[4-[4-[[4-[(4-acetylcyclohexanecarbonyl)amino]cyclohexyl]carbamoyl]cyclohexanecarbonyl]oxybutyl] 1-O-(4-methoxybutyl) cyclohexane-1,4-dicarboxylate
CID 140517688
N-[4-(ethylamino)cyclohexyl]cyclopropanecarboxamide
CID 43653371
N-(4-acetylcyclohexyl)-2,2-dimethylpropanamide
CID 58356113

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylcyclohexyl)-4,4-difluorocyclohexane-1-carboxamide?
The IUPAC name of N-(4-acetylcyclohexyl)-4,4-difluorocyclohexane-1-carboxamide (CID 58356090) is N-(4-acetylcyclohexyl)-4,4-difluorocyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-acetylcyclohexyl)-4,4-difluorocyclohexane-1-carboxamide?
The canonical SMILES for N-(4-acetylcyclohexyl)-4,4-difluorocyclohexane-1-carboxamide is CC(=O)C1CCC(NC(=O)C2CCC(F)(F)CC2)CC1.
What is the InChIKey of N-(4-acetylcyclohexyl)-4,4-difluorocyclohexane-1-carboxamide?
The InChIKey is YFODQONXQQKLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO2/c1-10(19)11-2-4-13(5-3-11)18-14(20)12-6-8-15(16,17)9-7-12/h11-13H,2-9H2,1H3,(H,18,20).
What are the key properties of N-(4-acetylcyclohexyl)-4,4-difluorocyclohexane-1-carboxamide?
N-(4-acetylcyclohexyl)-4,4-difluorocyclohexane-1-carboxamide has a molecular weight of 287.35 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylcyclohexyl)-4,4-difluorocyclohexane-1-carboxamide is sourced from PubChem (CID 58356090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).