2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide

C15H11ClF3N3O3 — CID 17427138

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide
SMILESCc1oc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)c(C#N)c1C
InChIInChI=1S/C15H11ClF3N3O3/c1-7-8(2)25-13(10(7)4-20)21-12(23)6-22-5-9(15(17,18)19)3-11(16)14(22)24/h3,5H,6H2,1-2H3,(H,21,23)
InChIKeyDNXJPEXTEUBZNM-UHFFFAOYSA-N
MW373.72 g/mol
LogP3.24
Rot. Bonds3

About 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide (PubChem CID 17427138) has the molecular formula C15H11ClF3N3O3 and a molecular weight of 373.72 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide
PubChem CID17427138
Molecular FormulaC15H11ClF3N3O3
Molecular Weight373.72 g/mol
Exact Mass373.04
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide
SMILESCc1oc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)c(C#N)c1C
InChIInChI=1S/C15H11ClF3N3O3/c1-7-8(2)25-13(10(7)4-20)21-12(23)6-22-5-9(15(17,18)19)3-11(16)14(22)24/h3,5H,6H2,1-2H3,(H,21,23)
InChIKeyDNXJPEXTEUBZNM-UHFFFAOYSA-N
XLogP3.24
TPSA88.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.72
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide (CID 17427138) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide is Cc1oc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)c(C#N)c1C.
What is the InChIKey of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide?
The InChIKey is DNXJPEXTEUBZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N3O3/c1-7-8(2)25-13(10(7)4-20)21-12(23)6-22-5-9(15(17,18)19)3-11(16)14(22)24/h3,5H,6H2,1-2H3,(H,21,23).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide has a molecular weight of 373.72 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide is sourced from PubChem (CID 17427138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).