N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-1-fluorocyclopropane-1-carboxamide

C15H24FNO2 — CID 176578555

IUPACN-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-1-fluorocyclopropane-1-carboxamide
SMILESCC(C)C(=O)[C@H](NC(=O)C1(F)CC1)C1CCCCC1
InChIInChI=1S/C15H24FNO2/c1-10(2)13(18)12(11-6-4-3-5-7-11)17-14(19)15(16)8-9-15/h10-12H,3-9H2,1-2H3,(H,17,19)/t12-/m1/s1
InChIKeyFGZYWPIREFYNTF-GFCCVEGCSA-N
MW269.36 g/mol
LogP2.78
Rot. Bonds5

About N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-1-fluorocyclopropane-1-carboxamide

N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-1-fluorocyclopropane-1-carboxamide (PubChem CID 176578555) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-1-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-1-fluorocyclopropane-1-carboxamide
PubChem CID176578555
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC NameN-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-1-fluorocyclopropane-1-carboxamide
SMILESCC(C)C(=O)[C@H](NC(=O)C1(F)CC1)C1CCCCC1
InChIInChI=1S/C15H24FNO2/c1-10(2)13(18)12(11-6-4-3-5-7-11)17-14(19)15(16)8-9-15/h10-12H,3-9H2,1-2H3,(H,17,19)/t12-/m1/s1
InChIKeyFGZYWPIREFYNTF-GFCCVEGCSA-N
XLogP2.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-1-fluorocyclopropane-1-carboxamide?
The IUPAC name of N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-1-fluorocyclopropane-1-carboxamide (CID 176578555) is N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-1-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-1-fluorocyclopropane-1-carboxamide?
The canonical SMILES for N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-1-fluorocyclopropane-1-carboxamide is CC(C)C(=O)[C@H](NC(=O)C1(F)CC1)C1CCCCC1.
What is the InChIKey of N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-1-fluorocyclopropane-1-carboxamide?
The InChIKey is FGZYWPIREFYNTF-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-10(2)13(18)12(11-6-4-3-5-7-11)17-14(19)15(16)8-9-15/h10-12H,3-9H2,1-2H3,(H,17,19)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-1-fluorocyclopropane-1-carboxamide?
N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-1-fluorocyclopropane-1-carboxamide has a molecular weight of 269.36 g/mol, XLogP of 2.78, 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-3-methyl-2-oxobutyl]-1-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 176578555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).