N-(2,3-dimethylcyclohexyl)-4-(4-fluorophenyl)-4-oxobutanamide

C18H24FNO2 — CID 4879123

IUPACN-(2,3-dimethylcyclohexyl)-4-(4-fluorophenyl)-4-oxobutanamide
SMILESCC1CCCC(NC(=O)CCC(=O)c2ccc(F)cc2)C1C
InChIInChI=1S/C18H24FNO2/c1-12-4-3-5-16(13(12)2)20-18(22)11-10-17(21)14-6-8-15(19)9-7-14/h6-9,12-13,16H,3-5,10-11H2,1-2H3,(H,20,22)
InChIKeyUXNFKGYRBKSRSM-UHFFFAOYSA-N
MW305.39 g/mol
LogP3.73
Rot. Bonds5

About N-(2,3-dimethylcyclohexyl)-4-(4-fluorophenyl)-4-oxobutanamide

N-(2,3-dimethylcyclohexyl)-4-(4-fluorophenyl)-4-oxobutanamide (PubChem CID 4879123) has the molecular formula C18H24FNO2 and a molecular weight of 305.39 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-4-(4-fluorophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-4-(4-fluorophenyl)-4-oxobutanamide
PubChem CID4879123
Molecular FormulaC18H24FNO2
Molecular Weight305.39 g/mol
Exact Mass305.18
IUPAC NameN-(2,3-dimethylcyclohexyl)-4-(4-fluorophenyl)-4-oxobutanamide
SMILESCC1CCCC(NC(=O)CCC(=O)c2ccc(F)cc2)C1C
InChIInChI=1S/C18H24FNO2/c1-12-4-3-5-16(13(12)2)20-18(22)11-10-17(21)14-6-8-15(19)9-7-14/h6-9,12-13,16H,3-5,10-11H2,1-2H3,(H,20,22)
InChIKeyUXNFKGYRBKSRSM-UHFFFAOYSA-N
XLogP3.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-4-(4-fluorophenyl)-4-oxobutanamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-4-(4-fluorophenyl)-4-oxobutanamide (CID 4879123) is N-(2,3-dimethylcyclohexyl)-4-(4-fluorophenyl)-4-oxobutanamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-4-(4-fluorophenyl)-4-oxobutanamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-4-(4-fluorophenyl)-4-oxobutanamide is CC1CCCC(NC(=O)CCC(=O)c2ccc(F)cc2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-4-(4-fluorophenyl)-4-oxobutanamide?
The InChIKey is UXNFKGYRBKSRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO2/c1-12-4-3-5-16(13(12)2)20-18(22)11-10-17(21)14-6-8-15(19)9-7-14/h6-9,12-13,16H,3-5,10-11H2,1-2H3,(H,20,22).
What are the key properties of N-(2,3-dimethylcyclohexyl)-4-(4-fluorophenyl)-4-oxobutanamide?
N-(2,3-dimethylcyclohexyl)-4-(4-fluorophenyl)-4-oxobutanamide has a molecular weight of 305.39 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-4-(4-fluorophenyl)-4-oxobutanamide is sourced from PubChem (CID 4879123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).