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

C14H17ClF3N3O3 — CID 2587480

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-methylbutylcarbamoyl)acetamide
SMILESCC(C)CCNC(=O)NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C14H17ClF3N3O3/c1-8(2)3-4-19-13(24)20-11(22)7-21-6-9(14(16,17)18)5-10(15)12(21)23/h5-6,8H,3-4,7H2,1-2H3,(H2,19,20,22,24)
InChIKeyNEHNQHYOMTZKKJ-UHFFFAOYSA-N
MW367.76 g/mol
LogP2.39
Rot. Bonds5

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

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-methylbutylcarbamoyl)acetamide (PubChem CID 2587480) has the molecular formula C14H17ClF3N3O3 and a molecular weight of 367.76 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-methylbutylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-methylbutylcarbamoyl)acetamide
PubChem CID2587480
Molecular FormulaC14H17ClF3N3O3
Molecular Weight367.76 g/mol
Exact Mass367.09
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-methylbutylcarbamoyl)acetamide
SMILESCC(C)CCNC(=O)NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C14H17ClF3N3O3/c1-8(2)3-4-19-13(24)20-11(22)7-21-6-9(14(16,17)18)5-10(15)12(21)23/h5-6,8H,3-4,7H2,1-2H3,(H2,19,20,22,24)
InChIKeyNEHNQHYOMTZKKJ-UHFFFAOYSA-N
XLogP2.39
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.76
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-methylbutylcarbamoyl)acetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-methylbutylcarbamoyl)acetamide (CID 2587480) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-methylbutylcarbamoyl)acetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-methylbutylcarbamoyl)acetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-methylbutylcarbamoyl)acetamide is CC(C)CCNC(=O)NC(=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-(3-methylbutylcarbamoyl)acetamide?
The InChIKey is NEHNQHYOMTZKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3N3O3/c1-8(2)3-4-19-13(24)20-11(22)7-21-6-9(14(16,17)18)5-10(15)12(21)23/h5-6,8H,3-4,7H2,1-2H3,(H2,19,20,22,24).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-methylbutylcarbamoyl)acetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-methylbutylcarbamoyl)acetamide has a molecular weight of 367.76 g/mol, XLogP of 2.39, 5 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-(3-methylbutylcarbamoyl)acetamide is sourced from PubChem (CID 2587480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).