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

C15H18ClF3N2O2 — CID 2587520

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(cyclohexylmethyl)acetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCC1CCCCC1
InChIInChI=1S/C15H18ClF3N2O2/c16-12-6-11(15(17,18)19)8-21(14(12)23)9-13(22)20-7-10-4-2-1-3-5-10/h6,8,10H,1-5,7,9H2,(H,20,22)
InChIKeyXHONUAMZYFTVEB-UHFFFAOYSA-N
MW350.77 g/mol
LogP3.22
Rot. Bonds4

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

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(cyclohexylmethyl)acetamide (PubChem CID 2587520) 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-(cyclohexylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(cyclohexylmethyl)acetamide
PubChem CID2587520
Molecular FormulaC15H18ClF3N2O2
Molecular Weight350.77 g/mol
Exact Mass350.10
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(cyclohexylmethyl)acetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCC1CCCCC1
InChIInChI=1S/C15H18ClF3N2O2/c16-12-6-11(15(17,18)19)8-21(14(12)23)9-13(22)20-7-10-4-2-1-3-5-10/h6,8,10H,1-5,7,9H2,(H,20,22)
InChIKeyXHONUAMZYFTVEB-UHFFFAOYSA-N
XLogP3.22
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(cyclohexylmethyl)acetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(cyclohexylmethyl)acetamide (CID 2587520) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(cyclohexylmethyl)acetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(cyclohexylmethyl)acetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(cyclohexylmethyl)acetamide is O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCC1CCCCC1.
What is the InChIKey of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(cyclohexylmethyl)acetamide?
The InChIKey is XHONUAMZYFTVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF3N2O2/c16-12-6-11(15(17,18)19)8-21(14(12)23)9-13(22)20-7-10-4-2-1-3-5-10/h6,8,10H,1-5,7,9H2,(H,20,22).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(cyclohexylmethyl)acetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(cyclohexylmethyl)acetamide has a molecular weight of 350.77 g/mol, XLogP of 3.22, 4 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-(cyclohexylmethyl)acetamide is sourced from PubChem (CID 2587520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).