(2R)-2-(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)-1-prop-2-enyl-2H-pyridine-5,6-dione

C21H18ClNO3 — CID 95402297

IUPAC(2R)-2-(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)-1-prop-2-enyl-2H-pyridine-5,6-dione
SMILESC=CCN1C(=O)C(=O)C(O)=C(c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C21H18ClNO3/c1-3-12-23-18(15-8-10-16(22)11-9-15)17(19(24)20(25)21(23)26)14-6-4-13(2)5-7-14/h3-11,18,24H,1,12H2,2H3/t18-/m1/s1
InChIKeyIDLCLISGZGFXCV-GOSISDBHSA-N
MW367.83 g/mol
LogP4.26
Rot. Bonds4

About (2R)-2-(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)-1-prop-2-enyl-2H-pyridine-5,6-dione

(2R)-2-(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)-1-prop-2-enyl-2H-pyridine-5,6-dione (PubChem CID 95402297) has the molecular formula C21H18ClNO3 and a molecular weight of 367.83 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)-1-prop-2-enyl-2H-pyridine-5,6-dione.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)-1-prop-2-enyl-2H-pyridine-5,6-dione
PubChem CID95402297
Molecular FormulaC21H18ClNO3
Molecular Weight367.83 g/mol
Exact Mass367.10
IUPAC Name(2R)-2-(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)-1-prop-2-enyl-2H-pyridine-5,6-dione
SMILESC=CCN1C(=O)C(=O)C(O)=C(c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C21H18ClNO3/c1-3-12-23-18(15-8-10-16(22)11-9-15)17(19(24)20(25)21(23)26)14-6-4-13(2)5-7-14/h3-11,18,24H,1,12H2,2H3/t18-/m1/s1
InChIKeyIDLCLISGZGFXCV-GOSISDBHSA-N
XLogP4.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.83
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-(4-chlorophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-prop-2-enylpyrrolidine-2,3-dione
CID 3510191
1-[(4-chlorophenyl)methyl]-4-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-pyrrol-5-one
CID 45031876
(2R)-1-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 94073298
2-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 45031837
1,2-bis(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 50774317
(2S)-2-(4-chlorophenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 94072815
(2R)-2-(4-chlorophenyl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 94072938
1-(4-chlorophenyl)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 50774338
5-(4-bromophenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-prop-2-enylpyrrolidine-2,3-dione
CID 3826311
(5S)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(4-chlorophenyl)-1-prop-2-enylpyrrolidine-2,3-dione
CID 1354214
(5R)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(4-methylphenyl)-1-prop-2-enylpyrrolidine-2,3-dione
CID 7395176
(2R)-2-(4-bromophenyl)-3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one
CID 94071971

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)-1-prop-2-enyl-2H-pyridine-5,6-dione?
The IUPAC name of (2R)-2-(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)-1-prop-2-enyl-2H-pyridine-5,6-dione (CID 95402297) is (2R)-2-(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)-1-prop-2-enyl-2H-pyridine-5,6-dione.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)-1-prop-2-enyl-2H-pyridine-5,6-dione?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)-1-prop-2-enyl-2H-pyridine-5,6-dione is C=CCN1C(=O)C(=O)C(O)=C(c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)-1-prop-2-enyl-2H-pyridine-5,6-dione?
The InChIKey is IDLCLISGZGFXCV-GOSISDBHSA-N. The full InChI is InChI=1S/C21H18ClNO3/c1-3-12-23-18(15-8-10-16(22)11-9-15)17(19(24)20(25)21(23)26)14-6-4-13(2)5-7-14/h3-11,18,24H,1,12H2,2H3/t18-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)-1-prop-2-enyl-2H-pyridine-5,6-dione?
(2R)-2-(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)-1-prop-2-enyl-2H-pyridine-5,6-dione has a molecular weight of 367.83 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)-1-prop-2-enyl-2H-pyridine-5,6-dione is sourced from PubChem (CID 95402297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).