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

C15H18ClF3N2O2 — CID 3914066

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cycloheptylacetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NC1CCCCCC1
InChIInChI=1S/C15H18ClF3N2O2/c16-12-7-10(15(17,18)19)8-21(14(12)23)9-13(22)20-11-5-3-1-2-4-6-11/h7-8,11H,1-6,9H2,(H,20,22)
InChIKeyULERQVXENUPQGK-UHFFFAOYSA-N
MW350.77 g/mol
LogP3.36
Rot. Bonds3

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

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cycloheptylacetamide (PubChem CID 3914066) 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-cycloheptylacetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cycloheptylacetamide
PubChem CID3914066
Molecular FormulaC15H18ClF3N2O2
Molecular Weight350.77 g/mol
Exact Mass350.10
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cycloheptylacetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NC1CCCCCC1
InChIInChI=1S/C15H18ClF3N2O2/c16-12-7-10(15(17,18)19)8-21(14(12)23)9-13(22)20-11-5-3-1-2-4-6-11/h7-8,11H,1-6,9H2,(H,20,22)
InChIKeyULERQVXENUPQGK-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cycloheptylacetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cycloheptylacetamide (CID 3914066) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cycloheptylacetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cycloheptylacetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cycloheptylacetamide is O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NC1CCCCCC1.
What is the InChIKey of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cycloheptylacetamide?
The InChIKey is ULERQVXENUPQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF3N2O2/c16-12-7-10(15(17,18)19)8-21(14(12)23)9-13(22)20-11-5-3-1-2-4-6-11/h7-8,11H,1-6,9H2,(H,20,22).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cycloheptylacetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cycloheptylacetamide has a molecular weight of 350.77 g/mol, XLogP of 3.36, 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-cycloheptylacetamide is sourced from PubChem (CID 3914066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).