1-cyclohexyl-3-[[2,6-dichloro-4-(4-methylphenyl)phenyl]methyl]pyrrolidin-2-one

C24H27Cl2NO — CID 143568177

IUPAC1-cyclohexyl-3-[[2,6-dichloro-4-(4-methylphenyl)phenyl]methyl]pyrrolidin-2-one
SMILESCc1ccc(-c2cc(Cl)c(CC3CCN(C4CCCCC4)C3=O)c(Cl)c2)cc1
InChIInChI=1S/C24H27Cl2NO/c1-16-7-9-17(10-8-16)19-14-22(25)21(23(26)15-19)13-18-11-12-27(24(18)28)20-5-3-2-4-6-20/h7-10,14-15,18,20H,2-6,11-13H2,1H3
InChIKeyLFSRXVVHEQOFOL-UHFFFAOYSA-N
MW416.39 g/mol
LogP6.69
Rot. Bonds4

About 1-cyclohexyl-3-[[2,6-dichloro-4-(4-methylphenyl)phenyl]methyl]pyrrolidin-2-one

1-cyclohexyl-3-[[2,6-dichloro-4-(4-methylphenyl)phenyl]methyl]pyrrolidin-2-one (PubChem CID 143568177) has the molecular formula C24H27Cl2NO and a molecular weight of 416.39 g/mol. Its IUPAC name is 1-cyclohexyl-3-[[2,6-dichloro-4-(4-methylphenyl)phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-3-[[2,6-dichloro-4-(4-methylphenyl)phenyl]methyl]pyrrolidin-2-one
PubChem CID143568177
Molecular FormulaC24H27Cl2NO
Molecular Weight416.39 g/mol
Exact Mass415.15
IUPAC Name1-cyclohexyl-3-[[2,6-dichloro-4-(4-methylphenyl)phenyl]methyl]pyrrolidin-2-one
SMILESCc1ccc(-c2cc(Cl)c(CC3CCN(C4CCCCC4)C3=O)c(Cl)c2)cc1
InChIInChI=1S/C24H27Cl2NO/c1-16-7-9-17(10-8-16)19-14-22(25)21(23(26)15-19)13-18-11-12-27(24(18)28)20-5-3-2-4-6-20/h7-10,14-15,18,20H,2-6,11-13H2,1H3
InChIKeyLFSRXVVHEQOFOL-UHFFFAOYSA-N
XLogP6.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.39
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-cyclohexyl-3-[[2,6-dichloro-4-(4-methylphenyl)phenyl]methyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[[2,6-dichloro-4-(4-methylphenyl)phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-cyclohexyl-3-[[2,6-dichloro-4-(4-methylphenyl)phenyl]methyl]pyrrolidin-2-one (CID 143568177) is 1-cyclohexyl-3-[[2,6-dichloro-4-(4-methylphenyl)phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclohexyl-3-[[2,6-dichloro-4-(4-methylphenyl)phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-cyclohexyl-3-[[2,6-dichloro-4-(4-methylphenyl)phenyl]methyl]pyrrolidin-2-one is Cc1ccc(-c2cc(Cl)c(CC3CCN(C4CCCCC4)C3=O)c(Cl)c2)cc1.
What is the InChIKey of 1-cyclohexyl-3-[[2,6-dichloro-4-(4-methylphenyl)phenyl]methyl]pyrrolidin-2-one?
The InChIKey is LFSRXVVHEQOFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2NO/c1-16-7-9-17(10-8-16)19-14-22(25)21(23(26)15-19)13-18-11-12-27(24(18)28)20-5-3-2-4-6-20/h7-10,14-15,18,20H,2-6,11-13H2,1H3.
What are the key properties of 1-cyclohexyl-3-[[2,6-dichloro-4-(4-methylphenyl)phenyl]methyl]pyrrolidin-2-one?
1-cyclohexyl-3-[[2,6-dichloro-4-(4-methylphenyl)phenyl]methyl]pyrrolidin-2-one has a molecular weight of 416.39 g/mol, XLogP of 6.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[[2,6-dichloro-4-(4-methylphenyl)phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 143568177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).