N-(1-cyclohexyl-3-methyl-2-oxobutyl)-2,2-difluorocyclopropane-1-carboxamide

C15H23F2NO2 — CID 176582102

IUPACN-(1-cyclohexyl-3-methyl-2-oxobutyl)-2,2-difluorocyclopropane-1-carboxamide
SMILESCC(C)C(=O)C(NC(=O)C1CC1(F)F)C1CCCCC1
InChIInChI=1S/C15H23F2NO2/c1-9(2)13(19)12(10-6-4-3-5-7-10)18-14(20)11-8-15(11,16)17/h9-12H,3-8H2,1-2H3,(H,18,20)
InChIKeyZDENRCYWLPPXSI-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.93
Rot. Bonds5

About N-(1-cyclohexyl-3-methyl-2-oxobutyl)-2,2-difluorocyclopropane-1-carboxamide

N-(1-cyclohexyl-3-methyl-2-oxobutyl)-2,2-difluorocyclopropane-1-carboxamide (PubChem CID 176582102) has the molecular formula C15H23F2NO2 and a molecular weight of 287.35 g/mol. Its IUPAC name is N-(1-cyclohexyl-3-methyl-2-oxobutyl)-2,2-difluorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-3-methyl-2-oxobutyl)-2,2-difluorocyclopropane-1-carboxamide
PubChem CID176582102
Molecular FormulaC15H23F2NO2
Molecular Weight287.35 g/mol
Exact Mass287.17
IUPAC NameN-(1-cyclohexyl-3-methyl-2-oxobutyl)-2,2-difluorocyclopropane-1-carboxamide
SMILESCC(C)C(=O)C(NC(=O)C1CC1(F)F)C1CCCCC1
InChIInChI=1S/C15H23F2NO2/c1-9(2)13(19)12(10-6-4-3-5-7-10)18-14(20)11-8-15(11,16)17/h9-12H,3-8H2,1-2H3,(H,18,20)
InChIKeyZDENRCYWLPPXSI-UHFFFAOYSA-N
XLogP2.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-3-methyl-2-oxobutyl)-2,2-difluorocyclopropane-1-carboxamide?
The IUPAC name of N-(1-cyclohexyl-3-methyl-2-oxobutyl)-2,2-difluorocyclopropane-1-carboxamide (CID 176582102) is N-(1-cyclohexyl-3-methyl-2-oxobutyl)-2,2-difluorocyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-cyclohexyl-3-methyl-2-oxobutyl)-2,2-difluorocyclopropane-1-carboxamide?
The canonical SMILES for N-(1-cyclohexyl-3-methyl-2-oxobutyl)-2,2-difluorocyclopropane-1-carboxamide is CC(C)C(=O)C(NC(=O)C1CC1(F)F)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexyl-3-methyl-2-oxobutyl)-2,2-difluorocyclopropane-1-carboxamide?
The InChIKey is ZDENRCYWLPPXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO2/c1-9(2)13(19)12(10-6-4-3-5-7-10)18-14(20)11-8-15(11,16)17/h9-12H,3-8H2,1-2H3,(H,18,20).
What are the key properties of N-(1-cyclohexyl-3-methyl-2-oxobutyl)-2,2-difluorocyclopropane-1-carboxamide?
N-(1-cyclohexyl-3-methyl-2-oxobutyl)-2,2-difluorocyclopropane-1-carboxamide has a molecular weight of 287.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-3-methyl-2-oxobutyl)-2,2-difluorocyclopropane-1-carboxamide is sourced from PubChem (CID 176582102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).