N-[2-(4-chlorophenyl)ethyl]-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide

C21H24ClN3O2 — CID 15990364

IUPACN-[2-(4-chlorophenyl)ethyl]-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
SMILESCc1cccc(CN2CCN(CC(=O)NCCc3ccc(Cl)cc3)C2=O)c1
InChIInChI=1S/C21H24ClN3O2/c1-16-3-2-4-18(13-16)14-24-11-12-25(21(24)27)15-20(26)23-10-9-17-5-7-19(22)8-6-17/h2-8,13H,9-12,14-15H2,1H3,(H,23,26)
InChIKeyGYQJQTHAWWQERD-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.24
Rot. Bonds7

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

N-[2-(4-chlorophenyl)ethyl]-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide (PubChem CID 15990364) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
PubChem CID15990364
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
SMILESCc1cccc(CN2CCN(CC(=O)NCCc3ccc(Cl)cc3)C2=O)c1
InChIInChI=1S/C21H24ClN3O2/c1-16-3-2-4-18(13-16)14-24-11-12-25(21(24)27)15-20(26)23-10-9-17-5-7-19(22)8-6-17/h2-8,13H,9-12,14-15H2,1H3,(H,23,26)
InChIKeyGYQJQTHAWWQERD-UHFFFAOYSA-N
XLogP3.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ambenonium
CID 2131
2-Imidazolidinone, 1-((4-chlorophenyl)methyl)-
CID 5076481
N-[(4-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 2083685
N-[(4-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 2102967
N-[(4-chlorophenyl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2412458
2-(4-benzylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 2441640
3-((4-Chlorophenyl)methyl)-2-thioxo-4-imidazolidinone
CID 2726678
N-benzyl-2-[(4-chlorophenyl)methyl-methylamino]acetamide
CID 4879874
2-[(3-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
CID 4881897
2-[3-(4-chlorobenzyl)-2-oxoimidazolidin-1-yl]-N-(3-isopropoxypropyl)acetamide
CID 20851422
(4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 50898450
1-benzyl-3-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]urea
CID 57889141

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide (CID 15990364) is N-[2-(4-chlorophenyl)ethyl]-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide is Cc1cccc(CN2CCN(CC(=O)NCCc3ccc(Cl)cc3)C2=O)c1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide?
The InChIKey is GYQJQTHAWWQERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-16-3-2-4-18(13-16)14-24-11-12-25(21(24)27)15-20(26)23-10-9-17-5-7-19(22)8-6-17/h2-8,13H,9-12,14-15H2,1H3,(H,23,26).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide has a molecular weight of 385.90 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 15990364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).