N-[(2-chlorophenyl)methyl]-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide

C15H18ClN3O3 — CID 18097267

IUPACN-[(2-chlorophenyl)methyl]-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide
SMILESCC(C)C1NC(=O)N(CC(=O)NCc2ccccc2Cl)C1=O
InChIInChI=1S/C15H18ClN3O3/c1-9(2)13-14(21)19(15(22)18-13)8-12(20)17-7-10-5-3-4-6-11(10)16/h3-6,9,13H,7-8H2,1-2H3,(H,17,20)(H,18,22)
InChIKeyWQUMZZUTNRZDAJ-UHFFFAOYSA-N
MW323.78 g/mol
LogP1.53
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide

N-[(2-chlorophenyl)methyl]-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide (PubChem CID 18097267) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide
PubChem CID18097267
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide
SMILESCC(C)C1NC(=O)N(CC(=O)NCc2ccccc2Cl)C1=O
InChIInChI=1S/C15H18ClN3O3/c1-9(2)13-14(21)19(15(22)18-13)8-12(20)17-7-10-5-3-4-6-11(10)16/h3-6,9,13H,7-8H2,1-2H3,(H,17,20)(H,18,22)
InChIKeyWQUMZZUTNRZDAJ-UHFFFAOYSA-N
XLogP1.53
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-phenylacetamide
CID 41200746
2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-phenylacetamide
CID 17409210
2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide
CID 18225476
N-[(2-chlorophenyl)methyl]-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 98367184
2-[(4S)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 51535172
N-[(2-chlorophenyl)methyl]-2-[(4R)-4-(4-methylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 99743789
N-[(2-chlorophenyl)methyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2530641
2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetic acid
CID 10821883
2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(4-iodophenyl)acetamide
CID 55435726
N-[(2-chlorophenyl)methyl]-2-(3,5-dimethylpiperazin-1-yl)acetamide
CID 63872575
N-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773522
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetamide
CID 51934849

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide (CID 18097267) is N-[(2-chlorophenyl)methyl]-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide is CC(C)C1NC(=O)N(CC(=O)NCc2ccccc2Cl)C1=O.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide?
The InChIKey is WQUMZZUTNRZDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3/c1-9(2)13-14(21)19(15(22)18-13)8-12(20)17-7-10-5-3-4-6-11(10)16/h3-6,9,13H,7-8H2,1-2H3,(H,17,20)(H,18,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide?
N-[(2-chlorophenyl)methyl]-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide has a molecular weight of 323.78 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 18097267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).