1-[2-(3,5-dichlorophenyl)propan-2-yl]-3-methyl-4-phenyl-2H-pyrrol-5-one

C20H19Cl2NO — CID 15754263

IUPAC1-[2-(3,5-dichlorophenyl)propan-2-yl]-3-methyl-4-phenyl-2H-pyrrol-5-one
SMILESCC1=C(c2ccccc2)C(=O)N(C(C)(C)c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C20H19Cl2NO/c1-13-12-23(19(24)18(13)14-7-5-4-6-8-14)20(2,3)15-9-16(21)11-17(22)10-15/h4-11H,12H2,1-3H3
InChIKeyWJIMMYOQYYMXRX-UHFFFAOYSA-N
MW360.28 g/mol
LogP5.54
Rot. Bonds3

About 1-[2-(3,5-dichlorophenyl)propan-2-yl]-3-methyl-4-phenyl-2H-pyrrol-5-one

1-[2-(3,5-dichlorophenyl)propan-2-yl]-3-methyl-4-phenyl-2H-pyrrol-5-one (PubChem CID 15754263) has the molecular formula C20H19Cl2NO and a molecular weight of 360.28 g/mol. Its IUPAC name is 1-[2-(3,5-dichlorophenyl)propan-2-yl]-3-methyl-4-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[2-(3,5-dichlorophenyl)propan-2-yl]-3-methyl-4-phenyl-2H-pyrrol-5-one
PubChem CID15754263
Molecular FormulaC20H19Cl2NO
Molecular Weight360.28 g/mol
Exact Mass359.08
IUPAC Name1-[2-(3,5-dichlorophenyl)propan-2-yl]-3-methyl-4-phenyl-2H-pyrrol-5-one
SMILESCC1=C(c2ccccc2)C(=O)N(C(C)(C)c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C20H19Cl2NO/c1-13-12-23(19(24)18(13)14-7-5-4-6-8-14)20(2,3)15-9-16(21)11-17(22)10-15/h4-11H,12H2,1-3H3
InChIKeyWJIMMYOQYYMXRX-UHFFFAOYSA-N
XLogP5.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.28
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile
CID 16040268
Benzamide derivative 8
CID 118607347
(4-Benzylpiperidin-1-yl)(3-chlorophenyl)methanone
CID 814705
Oxaziclomefone
CID 15604135
1-{[1-(4-Chlorophenyl)cyclopropyl]carbonyl}-2-phenylpyrrolidine
CID 11595023
2-(2,6-dichlorophenyl)-1-[(1S)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 132016545
Benzamide, 3,4-dichloro-N,N-bis(1-methylpropyl)-
CID 214195
3-[(3,5-Dichlorophenyl)methyl-methylamino]-1,2-diphenylpropan-1-one
CID 360991
1-(4-Benzylpiperazin-1-yl)-2-(2,6-dichlorophenyl)ethanone
CID 4827039
N-[2-(Allyl-methyl-amino)-1-phenyl-ethyl]-2-(3,4-dichloro-phenyl)-N-methyl-acetamide
CID 15130828
2-(3,4-Dichloro-phenyl)-N-[2-(2,5-dihydro-pyrrol-1-yl)-1-phenyl-ethyl]-N-methyl-acetamide
CID 15130829
3-(3-Chloro-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-1H-pyridin-2-one
CID 44302821

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dichlorophenyl)propan-2-yl]-3-methyl-4-phenyl-2H-pyrrol-5-one?
The IUPAC name of 1-[2-(3,5-dichlorophenyl)propan-2-yl]-3-methyl-4-phenyl-2H-pyrrol-5-one (CID 15754263) is 1-[2-(3,5-dichlorophenyl)propan-2-yl]-3-methyl-4-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-[2-(3,5-dichlorophenyl)propan-2-yl]-3-methyl-4-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 1-[2-(3,5-dichlorophenyl)propan-2-yl]-3-methyl-4-phenyl-2H-pyrrol-5-one is CC1=C(c2ccccc2)C(=O)N(C(C)(C)c2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of 1-[2-(3,5-dichlorophenyl)propan-2-yl]-3-methyl-4-phenyl-2H-pyrrol-5-one?
The InChIKey is WJIMMYOQYYMXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2NO/c1-13-12-23(19(24)18(13)14-7-5-4-6-8-14)20(2,3)15-9-16(21)11-17(22)10-15/h4-11H,12H2,1-3H3.
What are the key properties of 1-[2-(3,5-dichlorophenyl)propan-2-yl]-3-methyl-4-phenyl-2H-pyrrol-5-one?
1-[2-(3,5-dichlorophenyl)propan-2-yl]-3-methyl-4-phenyl-2H-pyrrol-5-one has a molecular weight of 360.28 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dichlorophenyl)propan-2-yl]-3-methyl-4-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 15754263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).