2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide

C20H28ClN3O2 — CID 3244784

IUPAC2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide
SMILESCC1CCCC(NC(=O)CN2CCN(Cc3ccc(Cl)cc3)C2=O)C1C
InChIInChI=1S/C20H28ClN3O2/c1-14-4-3-5-18(15(14)2)22-19(25)13-24-11-10-23(20(24)26)12-16-6-8-17(21)9-7-16/h6-9,14-15,18H,3-5,10-13H2,1-2H3,(H,22,25)
InChIKeyJYWWOIUSLQXPAC-UHFFFAOYSA-N
MW377.92 g/mol
LogP3.52
Rot. Bonds5

About 2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide

2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide (PubChem CID 3244784) has the molecular formula C20H28ClN3O2 and a molecular weight of 377.92 g/mol. Its IUPAC name is 2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide
PubChem CID3244784
Molecular FormulaC20H28ClN3O2
Molecular Weight377.92 g/mol
Exact Mass377.19
IUPAC Name2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide
SMILESCC1CCCC(NC(=O)CN2CCN(Cc3ccc(Cl)cc3)C2=O)C1C
InChIInChI=1S/C20H28ClN3O2/c1-14-4-3-5-18(15(14)2)22-19(25)13-24-11-10-23(20(24)26)12-16-6-8-17(21)9-7-16/h6-9,14-15,18H,3-5,10-13H2,1-2H3,(H,22,25)
InChIKeyJYWWOIUSLQXPAC-UHFFFAOYSA-N
XLogP3.52
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)methylsulfanyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 7041193
2-[(4-chlorophenyl)methylsulfanyl]-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 2374570
2-[(4-chlorophenyl)methyl-methylamino]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11929339
2-(4-benzylpiperazin-1-yl)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11934678
3-[(4-chlorophenyl)methylsulfanyl]-N-(2,3-dimethylcyclohexyl)propanamide
CID 5215656
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 4825781
4-(4-chlorophenyl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-4-oxobutanamide
CID 11920520
4-(4-chlorophenyl)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-4-oxobutanamide
CID 7999635
1-[[2-(4-chlorophenyl)acetyl]amino]-3-[(1S,2R,3R)-2,3-dimethylcyclohexyl]thiourea
CID 11946243
2-(3,4-dichlorophenyl)-N-(2,3-dimethylcyclohexyl)acetamide
CID 18206629
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 124737330
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11932650

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide?
The IUPAC name of 2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide (CID 3244784) is 2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide.
What is the SMILES notation for 2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide?
The canonical SMILES for 2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide is CC1CCCC(NC(=O)CN2CCN(Cc3ccc(Cl)cc3)C2=O)C1C.
What is the InChIKey of 2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide?
The InChIKey is JYWWOIUSLQXPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3O2/c1-14-4-3-5-18(15(14)2)22-19(25)13-24-11-10-23(20(24)26)12-16-6-8-17(21)9-7-16/h6-9,14-15,18H,3-5,10-13H2,1-2H3,(H,22,25).
What are the key properties of 2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide?
2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide has a molecular weight of 377.92 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide is sourced from PubChem (CID 3244784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).