3-chloro-6-[(Z)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[3-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one

C18H14ClF3N2O2 — CID 67398700

IUPAC3-chloro-6-[(Z)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[3-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one
SMILESO=C1CC[C@H](/C=C(/c2cccc(C(F)(F)F)c2)c2ccc(Cl)c(=O)[nH]2)N1
InChIInChI=1S/C18H14ClF3N2O2/c19-14-5-6-15(24-17(14)26)13(9-12-4-7-16(25)23-12)10-2-1-3-11(8-10)18(20,21)22/h1-3,5-6,8-9,12H,4,7H2,(H,23,25)(H,24,26)/b13-9-/t12-/m1/s1
InChIKeyAZCMWRQSRRQXMA-FNWMBBJUSA-N
MW382.77 g/mol
LogP3.76
Rot. Bonds3

About 3-chloro-6-[(Z)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[3-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one

3-chloro-6-[(Z)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[3-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one (PubChem CID 67398700) has the molecular formula C18H14ClF3N2O2 and a molecular weight of 382.77 g/mol. Its IUPAC name is 3-chloro-6-[(Z)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[3-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-6-[(Z)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[3-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one
PubChem CID67398700
Molecular FormulaC18H14ClF3N2O2
Molecular Weight382.77 g/mol
Exact Mass382.07
IUPAC Name3-chloro-6-[(Z)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[3-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one
SMILESO=C1CC[C@H](/C=C(/c2cccc(C(F)(F)F)c2)c2ccc(Cl)c(=O)[nH]2)N1
InChIInChI=1S/C18H14ClF3N2O2/c19-14-5-6-15(24-17(14)26)13(9-12-4-7-16(25)23-12)10-2-1-3-11(8-10)18(20,21)22/h1-3,5-6,8-9,12H,4,7H2,(H,23,25)(H,24,26)/b13-9-/t12-/m1/s1
InChIKeyAZCMWRQSRRQXMA-FNWMBBJUSA-N
XLogP3.76
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.77
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one
CID 67398924
3-[1-(5-chloro-6-oxo-1H-pyridin-2-yl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]benzamide
CID 67400878
6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-chloro-1H-pyridin-2-one
CID 58452370
6-[(E)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopropyl-1H-pyridin-2-one
CID 67400078
(5R)-5-[(E)-2-(5-chloro-6-methoxy-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one
CID 67395942
3-chloro-6-[1-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 67399500
3-cyclopropyl-6-[(E)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 58452327
3-chloro-6-[(E)-1-naphthalen-1-yl-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 58452238
6-[1-(3-chloro-4-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopropyl-1H-pyridin-2-one
CID 67400809
3-chloro-6-[(E)-1-(3-methyl-4-methylsulfanylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 58452498
3-chloro-6-[(E)-1-(3-chloro-4-propan-2-yloxyphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 58452824
3-chloro-6-[(Z)-1-[4-(difluoromethyl)-3-methylsulfonylphenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 67399416

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(Z)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[3-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one?
The IUPAC name of 3-chloro-6-[(Z)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[3-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one (CID 67398700) is 3-chloro-6-[(Z)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[3-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-6-[(Z)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[3-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-6-[(Z)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[3-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one is O=C1CC[C@H](/C=C(/c2cccc(C(F)(F)F)c2)c2ccc(Cl)c(=O)[nH]2)N1.
What is the InChIKey of 3-chloro-6-[(Z)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[3-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one?
The InChIKey is AZCMWRQSRRQXMA-FNWMBBJUSA-N. The full InChI is InChI=1S/C18H14ClF3N2O2/c19-14-5-6-15(24-17(14)26)13(9-12-4-7-16(25)23-12)10-2-1-3-11(8-10)18(20,21)22/h1-3,5-6,8-9,12H,4,7H2,(H,23,25)(H,24,26)/b13-9-/t12-/m1/s1.
What are the key properties of 3-chloro-6-[(Z)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[3-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one?
3-chloro-6-[(Z)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[3-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one has a molecular weight of 382.77 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(Z)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[3-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one is sourced from PubChem (CID 67398700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).