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

C15H17ClF3N3O3 — CID 4855142

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(cyclohexylcarbamoyl)acetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C15H17ClF3N3O3/c16-11-6-9(15(17,18)19)7-22(13(11)24)8-12(23)21-14(25)20-10-4-2-1-3-5-10/h6-7,10H,1-5,8H2,(H2,20,21,23,25)
InChIKeyWIQQJIYWHLEDGP-UHFFFAOYSA-N
MW379.77 g/mol
LogP2.68
Rot. Bonds3

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

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(cyclohexylcarbamoyl)acetamide (PubChem CID 4855142) has the molecular formula C15H17ClF3N3O3 and a molecular weight of 379.77 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(cyclohexylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(cyclohexylcarbamoyl)acetamide
PubChem CID4855142
Molecular FormulaC15H17ClF3N3O3
Molecular Weight379.77 g/mol
Exact Mass379.09
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(cyclohexylcarbamoyl)acetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C15H17ClF3N3O3/c16-11-6-9(15(17,18)19)7-22(13(11)24)8-12(23)21-14(25)20-10-4-2-1-3-5-10/h6-7,10H,1-5,8H2,(H2,20,21,23,25)
InChIKeyWIQQJIYWHLEDGP-UHFFFAOYSA-N
XLogP2.68
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.77
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(cyclohexylcarbamoyl)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-(cyclohexylcarbamoyl)acetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(cyclohexylcarbamoyl)acetamide (CID 4855142) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(cyclohexylcarbamoyl)acetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(cyclohexylcarbamoyl)acetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(cyclohexylcarbamoyl)acetamide is O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NC(=O)NC1CCCCC1.
What is the InChIKey of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(cyclohexylcarbamoyl)acetamide?
The InChIKey is WIQQJIYWHLEDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF3N3O3/c16-11-6-9(15(17,18)19)7-22(13(11)24)8-12(23)21-14(25)20-10-4-2-1-3-5-10/h6-7,10H,1-5,8H2,(H2,20,21,23,25).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(cyclohexylcarbamoyl)acetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(cyclohexylcarbamoyl)acetamide has a molecular weight of 379.77 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(cyclohexylcarbamoyl)acetamide is sourced from PubChem (CID 4855142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).