2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methylcyclohexyl)acetamide

C15H18ClF3N2O2 — CID 4255373

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C15H18ClF3N2O2/c1-9-4-2-3-5-12(9)20-13(22)8-21-7-10(15(17,18)19)6-11(16)14(21)23/h6-7,9,12H,2-5,8H2,1H3,(H,20,22)
InChIKeyKHNHESAIJOPCPB-UHFFFAOYSA-N
MW350.77 g/mol
LogP3.22
Rot. Bonds3

About 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methylcyclohexyl)acetamide

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methylcyclohexyl)acetamide (PubChem CID 4255373) has the molecular formula C15H18ClF3N2O2 and a molecular weight of 350.77 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methylcyclohexyl)acetamide
PubChem CID4255373
Molecular FormulaC15H18ClF3N2O2
Molecular Weight350.77 g/mol
Exact Mass350.10
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C15H18ClF3N2O2/c1-9-4-2-3-5-12(9)20-13(22)8-21-7-10(15(17,18)19)6-11(16)14(21)23/h6-7,9,12H,2-5,8H2,1H3,(H,20,22)
InChIKeyKHNHESAIJOPCPB-UHFFFAOYSA-N
XLogP3.22
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.77
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methylcyclohexyl)acetamide 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 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methylcyclohexyl)acetamide (CID 4255373) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methylcyclohexyl)acetamide is CC1CCCCC1NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O.
What is the InChIKey of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methylcyclohexyl)acetamide?
The InChIKey is KHNHESAIJOPCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF3N2O2/c1-9-4-2-3-5-12(9)20-13(22)8-21-7-10(15(17,18)19)6-11(16)14(21)23/h6-7,9,12H,2-5,8H2,1H3,(H,20,22).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methylcyclohexyl)acetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methylcyclohexyl)acetamide has a molecular weight of 350.77 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 4255373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).