2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N,N-bis(3-methylbutyl)acetamide

C18H26ClF3N2O2 — CID 2416884

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N,N-bis(3-methylbutyl)acetamide
SMILESCC(C)CCN(CCC(C)C)C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C18H26ClF3N2O2/c1-12(2)5-7-23(8-6-13(3)4)16(25)11-24-10-14(18(20,21)22)9-15(19)17(24)26/h9-10,12-13H,5-8,11H2,1-4H3
InChIKeyYISSUSSOBLTZFY-UHFFFAOYSA-N
MW394.87 g/mol
LogP4.44
Rot. Bonds8

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

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N,N-bis(3-methylbutyl)acetamide (PubChem CID 2416884) has the molecular formula C18H26ClF3N2O2 and a molecular weight of 394.87 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N,N-bis(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N,N-bis(3-methylbutyl)acetamide
PubChem CID2416884
Molecular FormulaC18H26ClF3N2O2
Molecular Weight394.87 g/mol
Exact Mass394.16
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N,N-bis(3-methylbutyl)acetamide
SMILESCC(C)CCN(CCC(C)C)C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C18H26ClF3N2O2/c1-12(2)5-7-23(8-6-13(3)4)16(25)11-24-10-14(18(20,21)22)9-15(19)17(24)26/h9-10,12-13H,5-8,11H2,1-4H3
InChIKeyYISSUSSOBLTZFY-UHFFFAOYSA-N
XLogP4.44
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.87
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-ethylacetamide
CID 2587467
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-methylbutyl)acetamide
CID 8894328
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N,N-bis(prop-2-enyl)acetamide
CID 9119798
3-Chloro-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 16271434
3-Chloro-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 16274862
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methylpropyl)acetamide
CID 2587470
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-methylbutylcarbamoyl)acetamide
CID 2587480
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7183474
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 7183476
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N,N-bis(2-cyanoethyl)acetamide
CID 7629038
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 8415359
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 8415365

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N,N-bis(3-methylbutyl)acetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N,N-bis(3-methylbutyl)acetamide (CID 2416884) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N,N-bis(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N,N-bis(3-methylbutyl)acetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N,N-bis(3-methylbutyl)acetamide is CC(C)CCN(CCC(C)C)C(=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,N-bis(3-methylbutyl)acetamide?
The InChIKey is YISSUSSOBLTZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClF3N2O2/c1-12(2)5-7-23(8-6-13(3)4)16(25)11-24-10-14(18(20,21)22)9-15(19)17(24)26/h9-10,12-13H,5-8,11H2,1-4H3.
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N,N-bis(3-methylbutyl)acetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N,N-bis(3-methylbutyl)acetamide has a molecular weight of 394.87 g/mol, XLogP of 4.44, 8 rotatable bonds, 0 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,N-bis(3-methylbutyl)acetamide is sourced from PubChem (CID 2416884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).