(1S)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2,2-difluorocyclopropane-1-carboxamide

C15H23F2NO2 — CID 176581073

IUPAC(1S)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2,2-difluorocyclopropane-1-carboxamide
SMILESCC(C)C(=O)[C@H](NC(=O)[C@@H]1CC1(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)/t11-,12+/m0/s1
InChIKeyZDENRCYWLPPXSI-NWDGAFQWSA-N
MW287.35 g/mol
LogP2.93
Rot. Bonds5

About (1S)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2,2-difluorocyclopropane-1-carboxamide

(1S)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2,2-difluorocyclopropane-1-carboxamide (PubChem CID 176581073) has the molecular formula C15H23F2NO2 and a molecular weight of 287.35 g/mol. Its IUPAC name is (1S)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2,2-difluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2,2-difluorocyclopropane-1-carboxamide
PubChem CID176581073
Molecular FormulaC15H23F2NO2
Molecular Weight287.35 g/mol
Exact Mass287.17
IUPAC Name(1S)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2,2-difluorocyclopropane-1-carboxamide
SMILESCC(C)C(=O)[C@H](NC(=O)[C@@H]1CC1(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)/t11-,12+/m0/s1
InChIKeyZDENRCYWLPPXSI-NWDGAFQWSA-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

Analyze (1S)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2,2-difluorocyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 164679204
CID 164679204
CID 176434988
CID 176434988
CID 177582111
CID 177582111
CID 75484149
CID 75484149
CID 20871711
CID 20871711
CID 54490474
CID 54490474
CID 57918978
CID 57918978
CID 57918989
CID 57918989
CID 58356090
CID 58356090
CID 59115403
CID 59115403
CID 68298490
CID 68298490
CID 81932076
CID 81932076

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2,2-difluorocyclopropane-1-carboxamide?
The IUPAC name of (1S)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2,2-difluorocyclopropane-1-carboxamide (CID 176581073) is (1S)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2,2-difluorocyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2,2-difluorocyclopropane-1-carboxamide?
The canonical SMILES for (1S)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2,2-difluorocyclopropane-1-carboxamide is CC(C)C(=O)[C@H](NC(=O)[C@@H]1CC1(F)F)C1CCCCC1.
What is the InChIKey of (1S)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2,2-difluorocyclopropane-1-carboxamide?
The InChIKey is ZDENRCYWLPPXSI-NWDGAFQWSA-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)/t11-,12+/m0/s1.
What are the key properties of (1S)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2,2-difluorocyclopropane-1-carboxamide?
(1S)-N-[(1R)-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 (1S)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2,2-difluorocyclopropane-1-carboxamide is sourced from PubChem (CID 176581073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).