(2S)-2-(4-chlorophenyl)-1-(3-methoxyphenyl)-3-methyl-2H-pyrrol-5-one

C18H16ClNO2 — CID 888553

IUPAC(2S)-2-(4-chlorophenyl)-1-(3-methoxyphenyl)-3-methyl-2H-pyrrol-5-one
SMILESCOc1cccc(N2C(=O)C=C(C)[C@H]2c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H16ClNO2/c1-12-10-17(21)20(15-4-3-5-16(11-15)22-2)18(12)13-6-8-14(19)9-7-13/h3-11,18H,1-2H3/t18-/m0/s1
InChIKeyMJNRUAAPPJEDQH-SFHVURJKSA-N
MW313.78 g/mol
LogP4.38
Rot. Bonds3

About (2S)-2-(4-chlorophenyl)-1-(3-methoxyphenyl)-3-methyl-2H-pyrrol-5-one

(2S)-2-(4-chlorophenyl)-1-(3-methoxyphenyl)-3-methyl-2H-pyrrol-5-one (PubChem CID 888553) has the molecular formula C18H16ClNO2 and a molecular weight of 313.78 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-1-(3-methoxyphenyl)-3-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-1-(3-methoxyphenyl)-3-methyl-2H-pyrrol-5-one
PubChem CID888553
Molecular FormulaC18H16ClNO2
Molecular Weight313.78 g/mol
Exact Mass313.09
IUPAC Name(2S)-2-(4-chlorophenyl)-1-(3-methoxyphenyl)-3-methyl-2H-pyrrol-5-one
SMILESCOc1cccc(N2C(=O)C=C(C)[C@H]2c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H16ClNO2/c1-12-10-17(21)20(15-4-3-5-16(11-15)22-2)18(12)13-6-8-14(19)9-7-13/h3-11,18H,1-2H3/t18-/m0/s1
InChIKeyMJNRUAAPPJEDQH-SFHVURJKSA-N
XLogP4.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-2-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857343
(4E)-5-(4-tert-butylphenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(3-methoxyphenyl)pyrrolidine-2,3-dione
CID 108670711
3-amino-4-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)azetidin-2-one
CID 102537012
(3aS,6aR)-1-(4-chlorophenyl)-3-(3-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazole-2-thione
CID 6554619
(3S,4S)-3-amino-4-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)azetidin-2-one
CID 124503896
7-chloro-1-(4-fluorophenyl)-2-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853073
(4E)-1-(3-bromo-4-methylphenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3-methoxyphenyl)pyrrolidine-2,3-dione
CID 6082982
(3aS,6aR)-3-(3-chlorophenyl)-1-(3-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one
CID 7283170
3-(3-chlorophenyl)-1-(3-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one
CID 3152855
5-(3-chlorophenyl)-4-(4-chlorophenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 155563628
2-(4-chlorophenyl)-5-(3-methoxyphenyl)-3-(4-methylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 23994093
3-acetyl-4-hydroxy-1-(3-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one
CID 4638719

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-1-(3-methoxyphenyl)-3-methyl-2H-pyrrol-5-one?
The IUPAC name of (2S)-2-(4-chlorophenyl)-1-(3-methoxyphenyl)-3-methyl-2H-pyrrol-5-one (CID 888553) is (2S)-2-(4-chlorophenyl)-1-(3-methoxyphenyl)-3-methyl-2H-pyrrol-5-one.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-1-(3-methoxyphenyl)-3-methyl-2H-pyrrol-5-one?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-1-(3-methoxyphenyl)-3-methyl-2H-pyrrol-5-one is COc1cccc(N2C(=O)C=C(C)[C@H]2c2ccc(Cl)cc2)c1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-1-(3-methoxyphenyl)-3-methyl-2H-pyrrol-5-one?
The InChIKey is MJNRUAAPPJEDQH-SFHVURJKSA-N. The full InChI is InChI=1S/C18H16ClNO2/c1-12-10-17(21)20(15-4-3-5-16(11-15)22-2)18(12)13-6-8-14(19)9-7-13/h3-11,18H,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-1-(3-methoxyphenyl)-3-methyl-2H-pyrrol-5-one?
(2S)-2-(4-chlorophenyl)-1-(3-methoxyphenyl)-3-methyl-2H-pyrrol-5-one has a molecular weight of 313.78 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-1-(3-methoxyphenyl)-3-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 888553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).