N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-cyclopropyl-2-fluorobenzamide

C19H24FNO2 — CID 176576220

IUPACN-[(1R)-1-cyclohexyl-2-oxopropyl]-3-cyclopropyl-2-fluorobenzamide
SMILESCC(=O)[C@H](NC(=O)c1cccc(C2CC2)c1F)C1CCCCC1
InChIInChI=1S/C19H24FNO2/c1-12(22)18(14-6-3-2-4-7-14)21-19(23)16-9-5-8-15(17(16)20)13-10-11-13/h5,8-9,13-14,18H,2-4,6-7,10-11H2,1H3,(H,21,23)/t18-/m0/s1
InChIKeyVQXTWSUMRIAIDG-SFHVURJKSA-N
MW317.40 g/mol
LogP3.97
Rot. Bonds5

About N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-cyclopropyl-2-fluorobenzamide

N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-cyclopropyl-2-fluorobenzamide (PubChem CID 176576220) has the molecular formula C19H24FNO2 and a molecular weight of 317.40 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-cyclopropyl-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexyl-2-oxopropyl]-3-cyclopropyl-2-fluorobenzamide
PubChem CID176576220
Molecular FormulaC19H24FNO2
Molecular Weight317.40 g/mol
Exact Mass317.18
IUPAC NameN-[(1R)-1-cyclohexyl-2-oxopropyl]-3-cyclopropyl-2-fluorobenzamide
SMILESCC(=O)[C@H](NC(=O)c1cccc(C2CC2)c1F)C1CCCCC1
InChIInChI=1S/C19H24FNO2/c1-12(22)18(14-6-3-2-4-7-14)21-19(23)16-9-5-8-15(17(16)20)13-10-11-13/h5,8-9,13-14,18H,2-4,6-7,10-11H2,1H3,(H,21,23)/t18-/m0/s1
InChIKeyVQXTWSUMRIAIDG-SFHVURJKSA-N
XLogP3.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-cyclopropyl-2-fluorobenzamide
CID 176577705
N-(1-cyclohexyl-2-oxopropyl)-2-fluoro-3-[1-(2-methylidenebutanoyl)piperidin-4-yl]benzamide;ethane
CID 176577039
N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2-fluorobenzamide;ethane;molecular hydrogen
CID 176575708
3-(1-acetylpiperidin-3-yl)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2-fluorobenzamide
CID 176576364
N-(1-cyclohexyl-3-methyl-2-oxobutyl)-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-fluorobenzamide
CID 176577503
N-(1-cyclohexyl-2-oxobutyl)-3-[1-(cyclopropanecarbonyl)azetidin-3-yl]-2-fluorobenzamide
CID 176579164
N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2-fluoro-3-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]benzamide
CID 176577998
N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2-fluorobenzamide
CID 176579606
N-(1-cyclohexyl-2-oxobutyl)-2-fluoro-3-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]benzamide
CID 176579942
N-(1-cyclohexyl-3-methyl-2-oxobutyl)-2-fluoro-3-(1-formyl-6,6-dimethylpiperidin-3-yl)benzamide;1,1-dimethylcyclopropane
CID 176582211
N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-[(1R)-2,2-difluorocyclopropanecarbonyl]piperidin-3-yl]-2-fluorobenzamide
CID 176577186
N-cyclohexyl-2-fluoro-3-piperidin-4-ylbenzamide
CID 166001097

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-cyclopropyl-2-fluorobenzamide?
The IUPAC name of N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-cyclopropyl-2-fluorobenzamide (CID 176576220) is N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-cyclopropyl-2-fluorobenzamide.
What is the SMILES notation for N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-cyclopropyl-2-fluorobenzamide?
The canonical SMILES for N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-cyclopropyl-2-fluorobenzamide is CC(=O)[C@H](NC(=O)c1cccc(C2CC2)c1F)C1CCCCC1.
What is the InChIKey of N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-cyclopropyl-2-fluorobenzamide?
The InChIKey is VQXTWSUMRIAIDG-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24FNO2/c1-12(22)18(14-6-3-2-4-7-14)21-19(23)16-9-5-8-15(17(16)20)13-10-11-13/h5,8-9,13-14,18H,2-4,6-7,10-11H2,1H3,(H,21,23)/t18-/m0/s1.
What are the key properties of N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-cyclopropyl-2-fluorobenzamide?
N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-cyclopropyl-2-fluorobenzamide has a molecular weight of 317.40 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-cyclopropyl-2-fluorobenzamide is sourced from PubChem (CID 176576220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).