3-chloro-6-[(E)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one

C18H14ClF3N2O3 — CID 67400473

IUPAC3-chloro-6-[(E)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one
SMILESO=C1CC[C@H](/C=C(\c2ccc(OC(F)(F)F)cc2)c2ccc(Cl)c(=O)[nH]2)N1
InChIInChI=1S/C18H14ClF3N2O3/c19-14-6-7-15(24-17(14)26)13(9-11-3-8-16(25)23-11)10-1-4-12(5-2-10)27-18(20,21)22/h1-2,4-7,9,11H,3,8H2,(H,23,25)(H,24,26)/b13-9+/t11-/m1/s1
InChIKeySNSKLTMCFGMLEN-VSXLWIIGSA-N
MW398.77 g/mol
LogP3.64
Rot. Bonds4

About 3-chloro-6-[(E)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one

3-chloro-6-[(E)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one (PubChem CID 67400473) has the molecular formula C18H14ClF3N2O3 and a molecular weight of 398.77 g/mol. Its IUPAC name is 3-chloro-6-[(E)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-6-[(E)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one
PubChem CID67400473
Molecular FormulaC18H14ClF3N2O3
Molecular Weight398.77 g/mol
Exact Mass398.06
IUPAC Name3-chloro-6-[(E)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one
SMILESO=C1CC[C@H](/C=C(\c2ccc(OC(F)(F)F)cc2)c2ccc(Cl)c(=O)[nH]2)N1
InChIInChI=1S/C18H14ClF3N2O3/c19-14-6-7-15(24-17(14)26)13(9-11-3-8-16(25)23-11)10-1-4-12(5-2-10)27-18(20,21)22/h1-2,4-7,9,11H,3,8H2,(H,23,25)(H,24,26)/b13-9+/t11-/m1/s1
InChIKeySNSKLTMCFGMLEN-VSXLWIIGSA-N
XLogP3.64
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.77
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2479846
(Z)-2-(4-methoxyphenyl)-N,N-dipropyl-3-pyrrolidin-2-ylprop-2-enamide
CID 11232788
3-cyclopropyl-6-[(E)-1-[4-methoxy-3-(trifluoromethyl)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 53246012
3-cyclopropyl-6-[(E)-1-(4-ethoxy-2,3-difluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 53247586
6-[(E)-1-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopropyl-1H-pyridin-2-one
CID 53247587
3-cyclopropyl-6-[(E)-1-[4-(difluoromethoxy)-3-fluorophenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 58452286
3-chloro-6-[(E)-1-(4-ethoxy-3-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 58452444
3-cyclopropyl-6-[(E)-1-[4-(difluoromethoxy)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 58452447
3-cyclopropyl-6-[(E)-1-[4-(difluoromethoxy)-3-methylphenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 58452637
3-cyclopropyl-6-[1-[4-(difluoromethoxy)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one
CID 58452657
3-cyclopropyl-6-[(E)-1-(4-ethoxy-3-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 58452714
3-chloro-6-[1-(4-ethoxy-3-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one
CID 58452715

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(E)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one?
The IUPAC name of 3-chloro-6-[(E)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one (CID 67400473) is 3-chloro-6-[(E)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-6-[(E)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-6-[(E)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one is O=C1CC[C@H](/C=C(\c2ccc(OC(F)(F)F)cc2)c2ccc(Cl)c(=O)[nH]2)N1.
What is the InChIKey of 3-chloro-6-[(E)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one?
The InChIKey is SNSKLTMCFGMLEN-VSXLWIIGSA-N. The full InChI is InChI=1S/C18H14ClF3N2O3/c19-14-6-7-15(24-17(14)26)13(9-11-3-8-16(25)23-11)10-1-4-12(5-2-10)27-18(20,21)22/h1-2,4-7,9,11H,3,8H2,(H,23,25)(H,24,26)/b13-9+/t11-/m1/s1.
What are the key properties of 3-chloro-6-[(E)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one?
3-chloro-6-[(E)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one has a molecular weight of 398.77 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(E)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one is sourced from PubChem (CID 67400473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).