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

C18H14ClF3N2O2 — CID 67398924

IUPAC3-chloro-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one
SMILESO=C1CC[C@H](C=C(c2ccc(C(F)(F)F)cc2)c2ccc(Cl)c(=O)[nH]2)N1
InChIInChI=1S/C18H14ClF3N2O2/c19-14-6-7-15(24-17(14)26)13(9-12-5-8-16(25)23-12)10-1-3-11(4-2-10)18(20,21)22/h1-4,6-7,9,12H,5,8H2,(H,23,25)(H,24,26)/t12-/m1/s1
InChIKeyQKTDPQJYJFXYIJ-GFCCVEGCSA-N
MW382.77 g/mol
LogP3.76
Rot. Bonds3

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

3-chloro-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one (PubChem CID 67398924) has the molecular formula C18H14ClF3N2O2 and a molecular weight of 382.77 g/mol. Its IUPAC name is 3-chloro-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one
PubChem CID67398924
Molecular FormulaC18H14ClF3N2O2
Molecular Weight382.77 g/mol
Exact Mass382.07
IUPAC Name3-chloro-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one
SMILESO=C1CC[C@H](C=C(c2ccc(C(F)(F)F)cc2)c2ccc(Cl)c(=O)[nH]2)N1
InChIInChI=1S/C18H14ClF3N2O2/c19-14-6-7-15(24-17(14)26)13(9-12-5-8-16(25)23-12)10-1-3-11(4-2-10)18(20,21)22/h1-4,6-7,9,12H,5,8H2,(H,23,25)(H,24,26)/t12-/m1/s1
InChIKeyQKTDPQJYJFXYIJ-GFCCVEGCSA-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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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one?
The IUPAC name of 3-chloro-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one (CID 67398924) is 3-chloro-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one is O=C1CC[C@H](C=C(c2ccc(C(F)(F)F)cc2)c2ccc(Cl)c(=O)[nH]2)N1.
What is the InChIKey of 3-chloro-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one?
The InChIKey is QKTDPQJYJFXYIJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H14ClF3N2O2/c19-14-6-7-15(24-17(14)26)13(9-12-5-8-16(25)23-12)10-1-3-11(4-2-10)18(20,21)22/h1-4,6-7,9,12H,5,8H2,(H,23,25)(H,24,26)/t12-/m1/s1.
What are the key properties of 3-chloro-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one?
3-chloro-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(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-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one is sourced from PubChem (CID 67398924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).