(5R)-5-[2-(5-chloro-6-methoxy-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one

C19H16ClF3N2O2 — CID 67395943

IUPAC(5R)-5-[2-(5-chloro-6-methoxy-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one
SMILESCOc1nc(C(=C[C@H]2CCC(=O)N2)c2cccc(C(F)(F)F)c2)ccc1Cl
InChIInChI=1S/C19H16ClF3N2O2/c1-27-18-15(20)6-7-16(25-18)14(10-13-5-8-17(26)24-13)11-3-2-4-12(9-11)19(21,22)23/h2-4,6-7,9-10,13H,5,8H2,1H3,(H,24,26)/t13-/m1/s1
InChIKeyPRXGLXZTMLVIGR-CYBMUJFWSA-N
MW396.80 g/mol
LogP4.47
Rot. Bonds4

About (5R)-5-[2-(5-chloro-6-methoxy-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one

(5R)-5-[2-(5-chloro-6-methoxy-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one (PubChem CID 67395943) has the molecular formula C19H16ClF3N2O2 and a molecular weight of 396.80 g/mol. Its IUPAC name is (5R)-5-[2-(5-chloro-6-methoxy-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[2-(5-chloro-6-methoxy-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one
PubChem CID67395943
Molecular FormulaC19H16ClF3N2O2
Molecular Weight396.80 g/mol
Exact Mass396.09
IUPAC Name(5R)-5-[2-(5-chloro-6-methoxy-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one
SMILESCOc1nc(C(=C[C@H]2CCC(=O)N2)c2cccc(C(F)(F)F)c2)ccc1Cl
InChIInChI=1S/C19H16ClF3N2O2/c1-27-18-15(20)6-7-16(25-18)14(10-13-5-8-17(26)24-13)11-3-2-4-12(9-11)19(21,22)23/h2-4,6-7,9-10,13H,5,8H2,1H3,(H,24,26)/t13-/m1/s1
InChIKeyPRXGLXZTMLVIGR-CYBMUJFWSA-N
XLogP4.47
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.80
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[2-(5-chloro-6-methoxy-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[2-(5-chloro-6-methoxy-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one (CID 67395943) is (5R)-5-[2-(5-chloro-6-methoxy-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[2-(5-chloro-6-methoxy-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[2-(5-chloro-6-methoxy-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one is COc1nc(C(=C[C@H]2CCC(=O)N2)c2cccc(C(F)(F)F)c2)ccc1Cl.
What is the InChIKey of (5R)-5-[2-(5-chloro-6-methoxy-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one?
The InChIKey is PRXGLXZTMLVIGR-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H16ClF3N2O2/c1-27-18-15(20)6-7-16(25-18)14(10-13-5-8-17(26)24-13)11-3-2-4-12(9-11)19(21,22)23/h2-4,6-7,9-10,13H,5,8H2,1H3,(H,24,26)/t13-/m1/s1.
What are the key properties of (5R)-5-[2-(5-chloro-6-methoxy-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one?
(5R)-5-[2-(5-chloro-6-methoxy-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one has a molecular weight of 396.80 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[2-(5-chloro-6-methoxy-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one is sourced from PubChem (CID 67395943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).