N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide

C17H26FNO2 — CID 177118597

IUPACN-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide
SMILESCC(C)C(=O)[C@H](NC(=O)C12CC(F)(C1)C2)C1CCCCC1
InChIInChI=1S/C17H26FNO2/c1-11(2)14(20)13(12-6-4-3-5-7-12)19-15(21)16-8-17(18,9-16)10-16/h11-13H,3-10H2,1-2H3,(H,19,21)/t13-,16?,17?/m1/s1
InChIKeyWTAUAKSISFHADO-NVPAJSRCSA-N
MW295.40 g/mol
LogP3.17
Rot. Bonds5

About N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide

N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 177118597) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide
PubChem CID177118597
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC NameN-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide
SMILESCC(C)C(=O)[C@H](NC(=O)C12CC(F)(C1)C2)C1CCCCC1
InChIInChI=1S/C17H26FNO2/c1-11(2)14(20)13(12-6-4-3-5-7-12)19-15(21)16-8-17(18,9-16)10-16/h11-13H,3-10H2,1-2H3,(H,19,21)/t13-,16?,17?/m1/s1
InChIKeyWTAUAKSISFHADO-NVPAJSRCSA-N
XLogP3.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-fluorobicyclo[1.1.1]pentane-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

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide?
The IUPAC name of N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide (CID 177118597) is N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide?
The canonical SMILES for N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide is CC(C)C(=O)[C@H](NC(=O)C12CC(F)(C1)C2)C1CCCCC1.
What is the InChIKey of N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide?
The InChIKey is WTAUAKSISFHADO-NVPAJSRCSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-11(2)14(20)13(12-6-4-3-5-7-12)19-15(21)16-8-17(18,9-16)10-16/h11-13H,3-10H2,1-2H3,(H,19,21)/t13-,16?,17?/m1/s1.
What are the key properties of N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide?
N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 295.40 g/mol, XLogP of 3.17, 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]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 177118597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).