3-fluoro-N-methyl-N-propylcyclohexane-1-carboxamide

C11H20FNO — CID 126794154

IUPAC3-fluoro-N-methyl-N-propylcyclohexane-1-carboxamide
SMILESCCCN(C)C(=O)C1CCCC(F)C1
InChIInChI=1S/C11H20FNO/c1-3-7-13(2)11(14)9-5-4-6-10(12)8-9/h9-10H,3-8H2,1-2H3
InChIKeyAUOWZLUPVKQLAR-UHFFFAOYSA-N
MW201.28 g/mol
LogP2.38
Rot. Bonds3

About 3-fluoro-N-methyl-N-propylcyclohexane-1-carboxamide

3-fluoro-N-methyl-N-propylcyclohexane-1-carboxamide (PubChem CID 126794154) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is 3-fluoro-N-methyl-N-propylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-N-propylcyclohexane-1-carboxamide
PubChem CID126794154
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name3-fluoro-N-methyl-N-propylcyclohexane-1-carboxamide
SMILESCCCN(C)C(=O)C1CCCC(F)C1
InChIInChI=1S/C11H20FNO/c1-3-7-13(2)11(14)9-5-4-6-10(12)8-9/h9-10H,3-8H2,1-2H3
InChIKeyAUOWZLUPVKQLAR-UHFFFAOYSA-N
XLogP2.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Pexantel
CID 667497
Piperidine, 1-(cyclohexylcarbonyl)-2,6-dimethyl-
CID 199799
Cyclohexanecarboxamide, N,N-dipropyl-
CID 152793
Cyclohexyl(2-methylpiperidin-1-yl)methanone
CID 558510
N-butylcyclohexanecarboxamide
CID 3544722
Hexanamide, N,N,2-triethyl-
CID 112187
Cyclohexanecarboxamide, N,N-diethyl-
CID 94872
N,N-Diethylcyclohexanepropanamide
CID 95064
Valeramide, N,N,2-tripropyl-
CID 201025
Piperidine, 1-(2-propylvaleryl)-
CID 201026
Valeramide, N,N-diethyl-2-propyl-
CID 209794
Piperidine, 1-(cyclohexylcarbonyl)-3-methyl-
CID 2915080

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-N-propylcyclohexane-1-carboxamide?
The IUPAC name of 3-fluoro-N-methyl-N-propylcyclohexane-1-carboxamide (CID 126794154) is 3-fluoro-N-methyl-N-propylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-fluoro-N-methyl-N-propylcyclohexane-1-carboxamide?
The canonical SMILES for 3-fluoro-N-methyl-N-propylcyclohexane-1-carboxamide is CCCN(C)C(=O)C1CCCC(F)C1.
What is the InChIKey of 3-fluoro-N-methyl-N-propylcyclohexane-1-carboxamide?
The InChIKey is AUOWZLUPVKQLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO/c1-3-7-13(2)11(14)9-5-4-6-10(12)8-9/h9-10H,3-8H2,1-2H3.
What are the key properties of 3-fluoro-N-methyl-N-propylcyclohexane-1-carboxamide?
3-fluoro-N-methyl-N-propylcyclohexane-1-carboxamide has a molecular weight of 201.28 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-N-propylcyclohexane-1-carboxamide is sourced from PubChem (CID 126794154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).