4-(chloromethyl)-1-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidin-2-one

C15H19Cl2NO — CID 168506959

IUPAC4-(chloromethyl)-1-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidin-2-one
SMILESCC(C)(CN1CC(CCl)CC1=O)c1cccc(Cl)c1
InChIInChI=1S/C15H19Cl2NO/c1-15(2,12-4-3-5-13(17)7-12)10-18-9-11(8-16)6-14(18)19/h3-5,7,11H,6,8-10H2,1-2H3
InChIKeyYPTUARMCKLEYHR-UHFFFAOYSA-N
MW300.23 g/mol
LogP3.70
Rot. Bonds4

About 4-(chloromethyl)-1-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidin-2-one

4-(chloromethyl)-1-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidin-2-one (PubChem CID 168506959) has the molecular formula C15H19Cl2NO and a molecular weight of 300.23 g/mol. Its IUPAC name is 4-(chloromethyl)-1-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(chloromethyl)-1-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidin-2-one
PubChem CID168506959
Molecular FormulaC15H19Cl2NO
Molecular Weight300.23 g/mol
Exact Mass299.08
IUPAC Name4-(chloromethyl)-1-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidin-2-one
SMILESCC(C)(CN1CC(CCl)CC1=O)c1cccc(Cl)c1
InChIInChI=1S/C15H19Cl2NO/c1-15(2,12-4-3-5-13(17)7-12)10-18-9-11(8-16)6-14(18)19/h3-5,7,11H,6,8-10H2,1-2H3
InChIKeyYPTUARMCKLEYHR-UHFFFAOYSA-N
XLogP3.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidin-2-one
CID 168699121
1-[2-(3-chlorophenyl)-2-methylpropyl]-4-hydroxypyrrolidin-2-one
CID 168701854
4-(chloromethyl)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-2-one
CID 168506958
4-(chloromethyl)-1-[2-(2,5-dichlorophenyl)ethyl]pyrrolidin-2-one
CID 168508277
4-(chloromethyl)-1-[1-(3-chlorophenyl)ethyl]pyrrolidin-2-one
CID 168506584
4-(chloromethyl)-1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-2-one
CID 168508472
4-(chloromethyl)-1-[2-(2,4-dichlorophenyl)ethyl]pyrrolidin-2-one
CID 168508293
1-[(2-chloro-3-fluorophenyl)methyl]-4-(chloromethyl)pyrrolidin-2-one
CID 168508474
4-(chloromethyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one
CID 168507984
2-(3-chlorophenyl)-2-methylpropane-1-sulfonic acid
CID 115046431
tert-butyl N-[3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-2,2-dimethylpropyl]carbamate
CID 168506900
4-(chloromethyl)-1-[[1-(4-chlorophenyl)cyclopropyl]methyl]pyrrolidin-2-one
CID 168508185

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidin-2-one?
The IUPAC name of 4-(chloromethyl)-1-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidin-2-one (CID 168506959) is 4-(chloromethyl)-1-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(chloromethyl)-1-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidin-2-one?
The canonical SMILES for 4-(chloromethyl)-1-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidin-2-one is CC(C)(CN1CC(CCl)CC1=O)c1cccc(Cl)c1.
What is the InChIKey of 4-(chloromethyl)-1-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidin-2-one?
The InChIKey is YPTUARMCKLEYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO/c1-15(2,12-4-3-5-13(17)7-12)10-18-9-11(8-16)6-14(18)19/h3-5,7,11H,6,8-10H2,1-2H3.
What are the key properties of 4-(chloromethyl)-1-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidin-2-one?
4-(chloromethyl)-1-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidin-2-one has a molecular weight of 300.23 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidin-2-one is sourced from PubChem (CID 168506959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).