3-(3-chlorophenyl)-N-(2,4-dioxoimidazolidin-1-yl)propanamide

C12H12ClN3O3 — CID 47142634

IUPAC3-(3-chlorophenyl)-N-(2,4-dioxoimidazolidin-1-yl)propanamide
SMILESO=C1CN(NC(=O)CCc2cccc(Cl)c2)C(=O)N1
InChIInChI=1S/C12H12ClN3O3/c13-9-3-1-2-8(6-9)4-5-10(17)15-16-7-11(18)14-12(16)19/h1-3,6H,4-5,7H2,(H,15,17)(H,14,18,19)
InChIKeyJFNKIQLTNBTVEU-UHFFFAOYSA-N
MW281.70 g/mol
LogP0.86
Rot. Bonds4

About 3-(3-chlorophenyl)-N-(2,4-dioxoimidazolidin-1-yl)propanamide

3-(3-chlorophenyl)-N-(2,4-dioxoimidazolidin-1-yl)propanamide (PubChem CID 47142634) has the molecular formula C12H12ClN3O3 and a molecular weight of 281.70 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-(2,4-dioxoimidazolidin-1-yl)propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-(2,4-dioxoimidazolidin-1-yl)propanamide
PubChem CID47142634
Molecular FormulaC12H12ClN3O3
Molecular Weight281.70 g/mol
Exact Mass281.06
IUPAC Name3-(3-chlorophenyl)-N-(2,4-dioxoimidazolidin-1-yl)propanamide
SMILESO=C1CN(NC(=O)CCc2cccc(Cl)c2)C(=O)N1
InChIInChI=1S/C12H12ClN3O3/c13-9-3-1-2-8(6-9)4-5-10(17)15-16-7-11(18)14-12(16)19/h1-3,6H,4-5,7H2,(H,15,17)(H,14,18,19)
InChIKeyJFNKIQLTNBTVEU-UHFFFAOYSA-N
XLogP0.86
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 50.86
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

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CID 1407295
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3-(3-chlorophenyl)-N-[(3S,4S)-4-methyl-2-oxopiperidin-3-yl]propanamide
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3-(3-chlorophenyl)propanoate
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3-(3-chlorophenyl)-N-(2-hydroxyphenyl)propanamide
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3-(3-chlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide
CID 110631434
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
N-(4-bromophenyl)-3-(3-chlorophenyl)propanamide
CID 1407353
3-(3-chlorophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
CID 47142765
3-(3-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)propanamide
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CID 19237283

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-(2,4-dioxoimidazolidin-1-yl)propanamide?
The IUPAC name of 3-(3-chlorophenyl)-N-(2,4-dioxoimidazolidin-1-yl)propanamide (CID 47142634) is 3-(3-chlorophenyl)-N-(2,4-dioxoimidazolidin-1-yl)propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-(2,4-dioxoimidazolidin-1-yl)propanamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-(2,4-dioxoimidazolidin-1-yl)propanamide is O=C1CN(NC(=O)CCc2cccc(Cl)c2)C(=O)N1.
What is the InChIKey of 3-(3-chlorophenyl)-N-(2,4-dioxoimidazolidin-1-yl)propanamide?
The InChIKey is JFNKIQLTNBTVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O3/c13-9-3-1-2-8(6-9)4-5-10(17)15-16-7-11(18)14-12(16)19/h1-3,6H,4-5,7H2,(H,15,17)(H,14,18,19).
What are the key properties of 3-(3-chlorophenyl)-N-(2,4-dioxoimidazolidin-1-yl)propanamide?
3-(3-chlorophenyl)-N-(2,4-dioxoimidazolidin-1-yl)propanamide has a molecular weight of 281.70 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-(2,4-dioxoimidazolidin-1-yl)propanamide is sourced from PubChem (CID 47142634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).