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

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Related Compounds

ethyl 2-[4-[3,5-dichloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]phenyl]phenoxy]acetate
CID 11569665
4-[4-[3,5-dichloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]phenyl]benzoyl]piperazine-1-carboxylic acid
CID 69088248
(3S)-1-cyclohexyl-3-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 129383097
2-[[4-[3,5-dichloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]phenyl]benzoyl]amino]-3-hydroxypropanoic acid
CID 143568172
4-[3,5-dichloro-4-[[(3R)-1-(4-hydroxycyclohexyl)-2-oxopyrrolidin-3-yl]methyl]phenyl]benzoic acid
CID 66621745
butyl 4-[4-[3,5-dichloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]phenyl]benzoyl]piperazine-1-carboxylate
CID 67522807
4-[(3R)-3-[[2,6-dichloro-4-(4-fluorophenyl)phenyl]methyl]-2-oxopyrrolidin-1-yl]-N-methylpiperidine-1-carboxamide
CID 24852107
4-[3,5-dichloro-4-[[(3R)-1-(4,4-difluorocyclohexyl)-2-oxopyrrolidin-3-yl]methyl]phenyl]benzoic acid
CID 59515433
methyl 4-[3,5-dichloro-4-[[(3R)-1-(4-methoxycyclohexyl)-2-oxopyrrolidin-3-yl]methyl]phenyl]benzoate
CID 66621789
butyl N-[1-[4-[3,5-dichloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]phenyl]benzoyl]piperidin-4-yl]carbamate
CID 67522818
3-[[2,6-dichloro-4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1-piperidin-4-ylpyrrolidin-2-one
CID 68693048
3-[[2-chloro-4-(4-hydroxy-2-methylphenyl)phenyl]methyl]-1-cyclohexylpyrrolidin-2-one
CID 59299374

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).