N-(4-bromo-3-chlorophenyl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-1,3-oxazolidine-4-carboxamide

C18H14BrClF3N3O3 — CID 176826415

IUPACN-(4-bromo-3-chlorophenyl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCc1cc(C(F)(F)F)cc(N2C(=O)OCC2C(=O)N(C)c2ccc(Br)c(Cl)c2)n1
InChIInChI=1S/C18H14BrClF3N3O3/c1-9-5-10(18(21,22)23)6-15(24-9)26-14(8-29-17(26)28)16(27)25(2)11-3-4-12(19)13(20)7-11/h3-7,14H,8H2,1-2H3
InChIKeyVRSSXSRJPQSDGI-UHFFFAOYSA-N
MW492.68 g/mol
LogP4.81
Rot. Bonds3

About N-(4-bromo-3-chlorophenyl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-1,3-oxazolidine-4-carboxamide

N-(4-bromo-3-chlorophenyl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 176826415) has the molecular formula C18H14BrClF3N3O3 and a molecular weight of 492.68 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-1,3-oxazolidine-4-carboxamide
PubChem CID176826415
Molecular FormulaC18H14BrClF3N3O3
Molecular Weight492.68 g/mol
Exact Mass490.99
IUPAC NameN-(4-bromo-3-chlorophenyl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCc1cc(C(F)(F)F)cc(N2C(=O)OCC2C(=O)N(C)c2ccc(Br)c(Cl)c2)n1
InChIInChI=1S/C18H14BrClF3N3O3/c1-9-5-10(18(21,22)23)6-15(24-9)26-14(8-29-17(26)28)16(27)25(2)11-3-4-12(19)13(20)7-11/h3-7,14H,8H2,1-2H3
InChIKeyVRSSXSRJPQSDGI-UHFFFAOYSA-N
XLogP4.81
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.68
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(3-methylphenyl)-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 156637482
N-(3-chloro-4-fluorophenyl)-2-(hydroxyamino)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4,5-dihydroimidazole-4-carboxamide
CID 171477839
N-(3-chloro-4-fluorophenyl)-4-[(dimethylamino)methyl]-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide
CID 165157795
(4S)-N-(3-chloro-4-fluorophenyl)-2-hydroxy-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]imidazolidine-4-carboxamide
CID 167201479
N-(3-chloro-4-fluorophenyl)-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydropyrrolo[3,2-b]pyridine-2-carboxamide
CID 171484478
(4S)-N-(3-chloro-4-fluorophenyl)-1-[3-(dimethylamino)propyl]-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide
CID 169080939
N-(4-chloro-3-methylphenyl)-6-hydroxy-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole-2-carboxamide
CID 175969241
N-(4-chloro-3-methylphenyl)-6-methoxy-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole-2-carboxamide
CID 175969235
N-(4-fluoro-3-methylphenyl)-3,4-dihydroxy-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide
CID 176826412
(4S)-N-(3-chloro-4-fluorophenyl)-1-[2-(dimethylsulfamoyl)ethyl]-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide;(4S)-N-(3-chloro-4-fluorophenyl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide
CID 167674838
(2S,4S)-4-N-(azetidin-3-yl)-2-N-(3-chloro-4-fluorophenyl)-2-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2,4-dicarboxamide
CID 168877114
N-(3-chloro-5-fluorophenyl)-3,4-dihydroxy-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide
CID 176826375

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-1,3-oxazolidine-4-carboxamide (CID 176826415) is N-(4-bromo-3-chlorophenyl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-1,3-oxazolidine-4-carboxamide is Cc1cc(C(F)(F)F)cc(N2C(=O)OCC2C(=O)N(C)c2ccc(Br)c(Cl)c2)n1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The InChIKey is VRSSXSRJPQSDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrClF3N3O3/c1-9-5-10(18(21,22)23)6-15(24-9)26-14(8-29-17(26)28)16(27)25(2)11-3-4-12(19)13(20)7-11/h3-7,14H,8H2,1-2H3.
What are the key properties of N-(4-bromo-3-chlorophenyl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
N-(4-bromo-3-chlorophenyl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 492.68 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 176826415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).