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

C21H28FNO2 — CID 176577705

IUPACN-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-cyclopropyl-2-fluorobenzamide
SMILESCC(C)C(=O)[C@H](NC(=O)c1cccc(C2CC2)c1F)C1CCCCC1
InChIInChI=1S/C21H28FNO2/c1-13(2)20(24)19(15-7-4-3-5-8-15)23-21(25)17-10-6-9-16(18(17)22)14-11-12-14/h6,9-10,13-15,19H,3-5,7-8,11-12H2,1-2H3,(H,23,25)/t19-/m1/s1
InChIKeySNLYFUXAOGPUNP-LJQANCHMSA-N
MW345.46 g/mol
LogP4.61
Rot. Bonds6

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

N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-cyclopropyl-2-fluorobenzamide (PubChem CID 176577705) has the molecular formula C21H28FNO2 and a molecular weight of 345.46 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-cyclopropyl-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-cyclopropyl-2-fluorobenzamide
PubChem CID176577705
Molecular FormulaC21H28FNO2
Molecular Weight345.46 g/mol
Exact Mass345.21
IUPAC NameN-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-cyclopropyl-2-fluorobenzamide
SMILESCC(C)C(=O)[C@H](NC(=O)c1cccc(C2CC2)c1F)C1CCCCC1
InChIInChI=1S/C21H28FNO2/c1-13(2)20(24)19(15-7-4-3-5-8-15)23-21(25)17-10-6-9-16(18(17)22)14-11-12-14/h6,9-10,13-15,19H,3-5,7-8,11-12H2,1-2H3,(H,23,25)/t19-/m1/s1
InChIKeySNLYFUXAOGPUNP-LJQANCHMSA-N
XLogP4.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-cyclopropyl-2-fluorobenzamide
CID 176576220
N-(1-cyclohexyl-3-methyl-2-oxobutyl)-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-fluorobenzamide
CID 176577503
3-(1-acetylpiperidin-3-yl)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2-fluorobenzamide
CID 176576364
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-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
3-[(1S,5R)-3-(bicyclo[1.1.1]pentane-1-carbonyl)-3-azabicyclo[3.2.1]octan-8-yl]-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2-fluorobenzamide
CID 177118842
3-[(3S)-1-(bicyclo[2.1.1]hexane-1-carbonyl)piperidin-3-yl]-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2-fluorobenzamide
CID 176576145
N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(2,4-difluorobenzoyl)piperidin-3-yl]-2-fluorobenzamide;molecular hydrogen
CID 176582396
N-(1-cyclohexyl-2-oxobutyl)-3-[1-(cyclopropanecarbonyl)azetidin-3-yl]-2-fluorobenzamide
CID 176579164
N-(1-cyclohexyl-2-oxopropyl)-2-fluoro-3-[1-(2-methylidenebutanoyl)piperidin-4-yl]benzamide;ethane
CID 176577039

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-cyclopropyl-2-fluorobenzamide?
The IUPAC name of N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-cyclopropyl-2-fluorobenzamide (CID 176577705) is N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-cyclopropyl-2-fluorobenzamide.
What is the SMILES notation for N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-cyclopropyl-2-fluorobenzamide?
The canonical SMILES for N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-cyclopropyl-2-fluorobenzamide is CC(C)C(=O)[C@H](NC(=O)c1cccc(C2CC2)c1F)C1CCCCC1.
What is the InChIKey of N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-cyclopropyl-2-fluorobenzamide?
The InChIKey is SNLYFUXAOGPUNP-LJQANCHMSA-N. The full InChI is InChI=1S/C21H28FNO2/c1-13(2)20(24)19(15-7-4-3-5-8-15)23-21(25)17-10-6-9-16(18(17)22)14-11-12-14/h6,9-10,13-15,19H,3-5,7-8,11-12H2,1-2H3,(H,23,25)/t19-/m1/s1.
What are the key properties of N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-cyclopropyl-2-fluorobenzamide?
N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-cyclopropyl-2-fluorobenzamide has a molecular weight of 345.46 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-cyclopropyl-2-fluorobenzamide is sourced from PubChem (CID 176577705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).