4-fluoro-1,4-dimethyl-N-(1-methylcyclopropyl)cyclohexane-1-carboxamide

C13H22FNO — CID 166735218

IUPAC4-fluoro-1,4-dimethyl-N-(1-methylcyclopropyl)cyclohexane-1-carboxamide
SMILESCC1(F)CCC(C)(C(=O)NC2(C)CC2)CC1
InChIInChI=1S/C13H22FNO/c1-11(4-6-12(2,14)7-5-11)10(16)15-13(3)8-9-13/h4-9H2,1-3H3,(H,15,16)
InChIKeyHWSNWWDGWIJRBA-UHFFFAOYSA-N
MW227.32 g/mol
LogP2.96
Rot. Bonds2

About 4-fluoro-1,4-dimethyl-N-(1-methylcyclopropyl)cyclohexane-1-carboxamide

4-fluoro-1,4-dimethyl-N-(1-methylcyclopropyl)cyclohexane-1-carboxamide (PubChem CID 166735218) has the molecular formula C13H22FNO and a molecular weight of 227.32 g/mol. Its IUPAC name is 4-fluoro-1,4-dimethyl-N-(1-methylcyclopropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-fluoro-1,4-dimethyl-N-(1-methylcyclopropyl)cyclohexane-1-carboxamide
PubChem CID166735218
Molecular FormulaC13H22FNO
Molecular Weight227.32 g/mol
Exact Mass227.17
IUPAC Name4-fluoro-1,4-dimethyl-N-(1-methylcyclopropyl)cyclohexane-1-carboxamide
SMILESCC1(F)CCC(C)(C(=O)NC2(C)CC2)CC1
InChIInChI=1S/C13H22FNO/c1-11(4-6-12(2,14)7-5-11)10(16)15-13(3)8-9-13/h4-9H2,1-3H3,(H,15,16)
InChIKeyHWSNWWDGWIJRBA-UHFFFAOYSA-N
XLogP2.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,4,4-trimethylpentan-2-yl)cyclohexanecarboxamide
CID 2317143
N-tert-butyl-4-methylcyclohexane-1-carboxamide
CID 79005587
N-(1-cyanocyclopropyl)-4,4-difluoro-1-methylcyclohexane-1-carboxamide
CID 126675105
2-ethyl-N-[1-(fluoromethyl)cyclopropyl]-2-methylpentanamide
CID 146640402
N-tert-butyl-4-(difluoromethyl)cyclohexane-1-carboxamide
CID 153521615
N-[1-(difluoromethyl)cyclopropyl]-2-hexyl-2-methyloctanamide
CID 169584855
N-tert-butyl-2-fluoro-6,6-dimethylheptanamide
CID 172142784
N-tert-butyl-2-fluoro-7,7-dimethyloctanamide
CID 172142899
(2S)-N-tert-butyl-2-fluoro-6,6-dimethylheptanamide
CID 172143058
(2R)-N-tert-butyl-2-fluoro-6,6-dimethylheptanamide
CID 172143077
N-tert-butyl-2-(4-tert-butylcyclohexyl)acetamide
CID 166447587
N-tert-butyl-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932161

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1,4-dimethyl-N-(1-methylcyclopropyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-fluoro-1,4-dimethyl-N-(1-methylcyclopropyl)cyclohexane-1-carboxamide (CID 166735218) is 4-fluoro-1,4-dimethyl-N-(1-methylcyclopropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-fluoro-1,4-dimethyl-N-(1-methylcyclopropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-fluoro-1,4-dimethyl-N-(1-methylcyclopropyl)cyclohexane-1-carboxamide is CC1(F)CCC(C)(C(=O)NC2(C)CC2)CC1.
What is the InChIKey of 4-fluoro-1,4-dimethyl-N-(1-methylcyclopropyl)cyclohexane-1-carboxamide?
The InChIKey is HWSNWWDGWIJRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FNO/c1-11(4-6-12(2,14)7-5-11)10(16)15-13(3)8-9-13/h4-9H2,1-3H3,(H,15,16).
What are the key properties of 4-fluoro-1,4-dimethyl-N-(1-methylcyclopropyl)cyclohexane-1-carboxamide?
4-fluoro-1,4-dimethyl-N-(1-methylcyclopropyl)cyclohexane-1-carboxamide has a molecular weight of 227.32 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,4-dimethyl-N-(1-methylcyclopropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 166735218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).