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

C15H25F2NO2 — CID 176581072

IUPAC(1S)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2,2-difluorocyclopropane-1-carboxamide;molecular hydrogen
SMILESCC(C)C(=O)[C@H](NC(=O)[C@@H]1CC1(F)F)C1CCCCC1.[H][H]
InChIInChI=1S/C15H23F2NO2.H2/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);1H/t11-,12+;/m0./s1
InChIKeyQPHVOIIXMWGBEI-ZVWHLABXSA-N
MW289.37 g/mol
LogP3.18
Rot. Bonds5

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

(1S)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2,2-difluorocyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 176581072) has the molecular formula C15H25F2NO2 and a molecular weight of 289.37 g/mol. Its IUPAC name is (1S)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2,2-difluorocyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name(1S)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2,2-difluorocyclopropane-1-carboxamide;molecular hydrogen
PubChem CID176581072
Molecular FormulaC15H25F2NO2
Molecular Weight289.37 g/mol
Exact Mass289.19
IUPAC Name(1S)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2,2-difluorocyclopropane-1-carboxamide;molecular hydrogen
SMILESCC(C)C(=O)[C@H](NC(=O)[C@@H]1CC1(F)F)C1CCCCC1.[H][H]
InChIInChI=1S/C15H23F2NO2.H2/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);1H/t11-,12+;/m0./s1
InChIKeyQPHVOIIXMWGBEI-ZVWHLABXSA-N
XLogP3.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

2,2-dimethyl-N-[(1S,4S)-2-oxo-4-(trifluoromethyl)cyclohexyl]propanamide
CID 164679204
2,2-dimethyl-N-[(1R,4R)-2-oxo-4-(trifluoromethyl)cyclohexyl]propanamide
CID 176434988
N-(2-cyclohexyl-2-oxoethyl)-2,2,2-trifluoroacetamide
CID 177582111
N-[(2S)-1-amino-1-oxopropan-2-yl]-4,4-difluorocyclohexane-1-carboxamide
CID 75484149
N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2,2,2-trifluoroacetamide
CID 20871711
N-[(4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-oxopentyl]-4-methylpentanamide
CID 54490474
(4S)-5-cyclohexyl-2,2-difluoro-4-(methylamino)-3-oxo-N-propylpentanamide
CID 57918978
5-cyclohexyl-2,2-difluoro-4-(methylamino)-3-oxo-N-propylpentanamide
CID 57918989
N-(4-acetylcyclohexyl)-4,4-difluorocyclohexane-1-carboxamide
CID 58356090
(1S)-1-(4,4-difluorocyclohexyl)-1-(methylamino)propan-2-one
CID 59115403
4-cyclobutyl-3-(ethylamino)-2-oxo-N-(2,2,2-trifluoroethyl)butanamide
CID 68298490
4,4-difluoro-N-propan-2-ylcyclohexane-1-carboxamide
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;molecular hydrogen?
The IUPAC name of (1S)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2,2-difluorocyclopropane-1-carboxamide;molecular hydrogen (CID 176581072) is (1S)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2,2-difluorocyclopropane-1-carboxamide;molecular hydrogen.
What is the SMILES notation for (1S)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2,2-difluorocyclopropane-1-carboxamide;molecular hydrogen?
The canonical SMILES for (1S)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2,2-difluorocyclopropane-1-carboxamide;molecular hydrogen is CC(C)C(=O)[C@H](NC(=O)[C@@H]1CC1(F)F)C1CCCCC1.[H][H].
What is the InChIKey of (1S)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2,2-difluorocyclopropane-1-carboxamide;molecular hydrogen?
The InChIKey is QPHVOIIXMWGBEI-ZVWHLABXSA-N. The full InChI is InChI=1S/C15H23F2NO2.H2/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);1H/t11-,12+;/m0./s1.
What are the key properties of (1S)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2,2-difluorocyclopropane-1-carboxamide;molecular hydrogen?
(1S)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2,2-difluorocyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 289.37 g/mol, XLogP of 3.18, 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;molecular hydrogen is sourced from PubChem (CID 176581072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).