(2S)-2-(3-chlorophenyl)-4-hydroxy-3-phenyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one

C22H17ClN2O2 — CID 94072011

IUPAC(2S)-2-(3-chlorophenyl)-4-hydroxy-3-phenyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
SMILESO=C1C(O)=C(c2ccccc2)[C@H](c2cccc(Cl)c2)N1Cc1ccccn1
InChIInChI=1S/C22H17ClN2O2/c23-17-10-6-9-16(13-17)20-19(15-7-2-1-3-8-15)21(26)22(27)25(20)14-18-11-4-5-12-24-18/h1-13,20,26H,14H2/t20-/m0/s1
InChIKeyKMFXGEVFDGIZDG-FQEVSTJZSA-N
MW376.84 g/mol
LogP4.79
Rot. Bonds4

About (2S)-2-(3-chlorophenyl)-4-hydroxy-3-phenyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one

(2S)-2-(3-chlorophenyl)-4-hydroxy-3-phenyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one (PubChem CID 94072011) has the molecular formula C22H17ClN2O2 and a molecular weight of 376.84 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenyl)-4-hydroxy-3-phenyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenyl)-4-hydroxy-3-phenyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
PubChem CID94072011
Molecular FormulaC22H17ClN2O2
Molecular Weight376.84 g/mol
Exact Mass376.10
IUPAC Name(2S)-2-(3-chlorophenyl)-4-hydroxy-3-phenyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
SMILESO=C1C(O)=C(c2ccccc2)[C@H](c2cccc(Cl)c2)N1Cc1ccccn1
InChIInChI=1S/C22H17ClN2O2/c23-17-10-6-9-16(13-17)20-19(15-7-2-1-3-8-15)21(26)22(27)25(20)14-18-11-4-5-12-24-18/h1-13,20,26H,14H2/t20-/m0/s1
InChIKeyKMFXGEVFDGIZDG-FQEVSTJZSA-N
XLogP4.79
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenyl)-4-hydroxy-3-phenyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one?
The IUPAC name of (2S)-2-(3-chlorophenyl)-4-hydroxy-3-phenyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one (CID 94072011) is (2S)-2-(3-chlorophenyl)-4-hydroxy-3-phenyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one.
What is the SMILES notation for (2S)-2-(3-chlorophenyl)-4-hydroxy-3-phenyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one?
The canonical SMILES for (2S)-2-(3-chlorophenyl)-4-hydroxy-3-phenyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one is O=C1C(O)=C(c2ccccc2)[C@H](c2cccc(Cl)c2)N1Cc1ccccn1.
What is the InChIKey of (2S)-2-(3-chlorophenyl)-4-hydroxy-3-phenyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one?
The InChIKey is KMFXGEVFDGIZDG-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H17ClN2O2/c23-17-10-6-9-16(13-17)20-19(15-7-2-1-3-8-15)21(26)22(27)25(20)14-18-11-4-5-12-24-18/h1-13,20,26H,14H2/t20-/m0/s1.
What are the key properties of (2S)-2-(3-chlorophenyl)-4-hydroxy-3-phenyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one?
(2S)-2-(3-chlorophenyl)-4-hydroxy-3-phenyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one has a molecular weight of 376.84 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chlorophenyl)-4-hydroxy-3-phenyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 94072011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).