1-(2,4-dichlorophenyl)-2-(4-methyl-2-oxo-1-pyridinyl)-3-pyrrolidin-1-ylpropane-1,3-dione

C19H18Cl2N2O3 — CID 51361789

IUPAC1-(2,4-dichlorophenyl)-2-(4-methyl-2-oxo-1-pyridinyl)-3-pyrrolidin-1-ylpropane-1,3-dione
SMILESCc1ccn(C(C(=O)c2ccc(Cl)cc2Cl)C(=O)N2CCCC2)c(=O)c1
InChIInChI=1S/C19H18Cl2N2O3/c1-12-6-9-23(16(24)10-12)17(19(26)22-7-2-3-8-22)18(25)14-5-4-13(20)11-15(14)21/h4-6,9-11,17H,2-3,7-8H2,1H3
InChIKeyRQWOZEXLUIIEPE-UHFFFAOYSA-N
MW393.27 g/mol
LogP3.51
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-2-(4-methyl-2-oxo-1-pyridinyl)-3-pyrrolidin-1-ylpropane-1,3-dione

1-(2,4-dichlorophenyl)-2-(4-methyl-2-oxo-1-pyridinyl)-3-pyrrolidin-1-ylpropane-1,3-dione (PubChem CID 51361789) has the molecular formula C19H18Cl2N2O3 and a molecular weight of 393.27 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-(4-methyl-2-oxo-1-pyridinyl)-3-pyrrolidin-1-ylpropane-1,3-dione.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-(4-methyl-2-oxo-1-pyridinyl)-3-pyrrolidin-1-ylpropane-1,3-dione
PubChem CID51361789
Molecular FormulaC19H18Cl2N2O3
Molecular Weight393.27 g/mol
Exact Mass392.07
IUPAC Name1-(2,4-dichlorophenyl)-2-(4-methyl-2-oxo-1-pyridinyl)-3-pyrrolidin-1-ylpropane-1,3-dione
SMILESCc1ccn(C(C(=O)c2ccc(Cl)cc2Cl)C(=O)N2CCCC2)c(=O)c1
InChIInChI=1S/C19H18Cl2N2O3/c1-12-6-9-23(16(24)10-12)17(19(26)22-7-2-3-8-22)18(25)14-5-4-13(20)11-15(14)21/h4-6,9-11,17H,2-3,7-8H2,1H3
InChIKeyRQWOZEXLUIIEPE-UHFFFAOYSA-N
XLogP3.51
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dichlorobenzoyl)-3-oxo-3-pyrrolidin-1-ylpropanenitrile
CID 47273815
1-(azepan-1-yl)-2-(5-chloro-2-oxo-1-pyridinyl)-3-(4-fluorophenyl)propane-1,3-dione
CID 3970669
(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-1-(4-fluorophenyl)-3-piperidin-1-ylpropane-1,3-dione
CID 7317693
N-benzyl-3-(2,4-dichlorophenyl)-N-methyl-3-oxo-2-(2-oxo-1-pyridinyl)propanamide
CID 3963036
4-(2,4-dichlorobenzoyl)-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110811718
N-[1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-methylbenzamide
CID 55886187
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843840
2-[(2-chloro-4-methylphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 106863116
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 108569544
3-(2,4-dichlorophenyl)-2-methyl-3-oxopropanoic acid
CID 116918261
[(E)-[(2,4-dichlorophenyl)-piperidin-1-ylmethylidene]amino] acetate
CID 5395427
2,4-dichloro-N-[(2S)-3-methyl-1-(4-methylsulfonylpiperazin-1-yl)-1-oxobutan-2-yl]benzamide
CID 42123727

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-(4-methyl-2-oxo-1-pyridinyl)-3-pyrrolidin-1-ylpropane-1,3-dione?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-(4-methyl-2-oxo-1-pyridinyl)-3-pyrrolidin-1-ylpropane-1,3-dione (CID 51361789) is 1-(2,4-dichlorophenyl)-2-(4-methyl-2-oxo-1-pyridinyl)-3-pyrrolidin-1-ylpropane-1,3-dione.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-(4-methyl-2-oxo-1-pyridinyl)-3-pyrrolidin-1-ylpropane-1,3-dione?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-(4-methyl-2-oxo-1-pyridinyl)-3-pyrrolidin-1-ylpropane-1,3-dione is Cc1ccn(C(C(=O)c2ccc(Cl)cc2Cl)C(=O)N2CCCC2)c(=O)c1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-(4-methyl-2-oxo-1-pyridinyl)-3-pyrrolidin-1-ylpropane-1,3-dione?
The InChIKey is RQWOZEXLUIIEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O3/c1-12-6-9-23(16(24)10-12)17(19(26)22-7-2-3-8-22)18(25)14-5-4-13(20)11-15(14)21/h4-6,9-11,17H,2-3,7-8H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-(4-methyl-2-oxo-1-pyridinyl)-3-pyrrolidin-1-ylpropane-1,3-dione?
1-(2,4-dichlorophenyl)-2-(4-methyl-2-oxo-1-pyridinyl)-3-pyrrolidin-1-ylpropane-1,3-dione has a molecular weight of 393.27 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-(4-methyl-2-oxo-1-pyridinyl)-3-pyrrolidin-1-ylpropane-1,3-dione is sourced from PubChem (CID 51361789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).