2-[3-bromo-5-cyano-4-(methoxymethyl)-2-methyl-6-oxo-1-pyridinyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

C18H14BrClF3N3O3 — CID 126375417

IUPAC2-[3-bromo-5-cyano-4-(methoxymethyl)-2-methyl-6-oxo-1-pyridinyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESCOCc1c(Br)c(C)n(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(=O)c1C#N
InChIInChI=1S/C18H14BrClF3N3O3/c1-9-16(19)12(8-29-2)11(6-24)17(28)26(9)7-15(27)25-14-5-10(18(21,22)23)3-4-13(14)20/h3-5H,7-8H2,1-2H3,(H,25,27)
InChIKeyDLKUBJBWRHQENX-UHFFFAOYSA-N
MW492.68 g/mol
LogP4.25
Rot. Bonds5

About 2-[3-bromo-5-cyano-4-(methoxymethyl)-2-methyl-6-oxo-1-pyridinyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

2-[3-bromo-5-cyano-4-(methoxymethyl)-2-methyl-6-oxo-1-pyridinyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 126375417) has the molecular formula C18H14BrClF3N3O3 and a molecular weight of 492.68 g/mol. Its IUPAC name is 2-[3-bromo-5-cyano-4-(methoxymethyl)-2-methyl-6-oxo-1-pyridinyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-bromo-5-cyano-4-(methoxymethyl)-2-methyl-6-oxo-1-pyridinyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
PubChem CID126375417
Molecular FormulaC18H14BrClF3N3O3
Molecular Weight492.68 g/mol
Exact Mass490.99
IUPAC Name2-[3-bromo-5-cyano-4-(methoxymethyl)-2-methyl-6-oxo-1-pyridinyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESCOCc1c(Br)c(C)n(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(=O)c1C#N
InChIInChI=1S/C18H14BrClF3N3O3/c1-9-16(19)12(8-29-2)11(6-24)17(28)26(9)7-15(27)25-14-5-10(18(21,22)23)3-4-13(14)20/h3-5H,7-8H2,1-2H3,(H,25,27)
InChIKeyDLKUBJBWRHQENX-UHFFFAOYSA-N
XLogP4.25
TPSA84.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.68
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-bromo-5-cyano-4-(methoxymethyl)-2-methyl-6-oxo-1-pyridinyl]-N-(5-chloro-2-methylphenyl)acetamide
CID 126376242
2-[3-bromo-5-cyano-4-(methoxymethyl)-2-methyl-6-oxo-1-pyridinyl]-N-[(Z)-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]methylideneamino]acetamide
CID 126010798
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]acetamide
CID 1288114
2-[3-bromo-5-cyano-4-(methoxymethyl)-2-methyl-6-oxo-1-pyridinyl]-N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 75123844
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)acetamide
CID 20893999
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 2099437
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(2-cyanoacetyl)amino]urea
CID 4689522
2-[2-chloro-5-(trifluoromethyl)anilino]ethene-1,1,2-tricarbonitrile
CID 168600544
N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide
CID 54787319
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 110689931
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2-cyanophenyl)propanediamide
CID 108956408
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195277

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-5-cyano-4-(methoxymethyl)-2-methyl-6-oxo-1-pyridinyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[3-bromo-5-cyano-4-(methoxymethyl)-2-methyl-6-oxo-1-pyridinyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (CID 126375417) is 2-[3-bromo-5-cyano-4-(methoxymethyl)-2-methyl-6-oxo-1-pyridinyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[3-bromo-5-cyano-4-(methoxymethyl)-2-methyl-6-oxo-1-pyridinyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[3-bromo-5-cyano-4-(methoxymethyl)-2-methyl-6-oxo-1-pyridinyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is COCc1c(Br)c(C)n(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(=O)c1C#N.
What is the InChIKey of 2-[3-bromo-5-cyano-4-(methoxymethyl)-2-methyl-6-oxo-1-pyridinyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is DLKUBJBWRHQENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrClF3N3O3/c1-9-16(19)12(8-29-2)11(6-24)17(28)26(9)7-15(27)25-14-5-10(18(21,22)23)3-4-13(14)20/h3-5H,7-8H2,1-2H3,(H,25,27).
What are the key properties of 2-[3-bromo-5-cyano-4-(methoxymethyl)-2-methyl-6-oxo-1-pyridinyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
2-[3-bromo-5-cyano-4-(methoxymethyl)-2-methyl-6-oxo-1-pyridinyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 492.68 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-5-cyano-4-(methoxymethyl)-2-methyl-6-oxo-1-pyridinyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 126375417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).