N-(1-cyclopropylethyl)-3-(3,5-dichlorophenyl)-2,4-dioxoimidazolidine-1-carboxamide

C15H15Cl2N3O3 — CID 70622830

IUPACN-(1-cyclopropylethyl)-3-(3,5-dichlorophenyl)-2,4-dioxoimidazolidine-1-carboxamide
SMILESCC(NC(=O)N1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O)C1CC1
InChIInChI=1S/C15H15Cl2N3O3/c1-8(9-2-3-9)18-14(22)19-7-13(21)20(15(19)23)12-5-10(16)4-11(17)6-12/h4-6,8-9H,2-3,7H2,1H3,(H,18,22)
InChIKeyOIFHODQFMGWRPF-UHFFFAOYSA-N
MW356.21 g/mol
LogP3.27
Rot. Bonds3

About N-(1-cyclopropylethyl)-3-(3,5-dichlorophenyl)-2,4-dioxoimidazolidine-1-carboxamide

N-(1-cyclopropylethyl)-3-(3,5-dichlorophenyl)-2,4-dioxoimidazolidine-1-carboxamide (PubChem CID 70622830) has the molecular formula C15H15Cl2N3O3 and a molecular weight of 356.21 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-3-(3,5-dichlorophenyl)-2,4-dioxoimidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-3-(3,5-dichlorophenyl)-2,4-dioxoimidazolidine-1-carboxamide
PubChem CID70622830
Molecular FormulaC15H15Cl2N3O3
Molecular Weight356.21 g/mol
Exact Mass355.05
IUPAC NameN-(1-cyclopropylethyl)-3-(3,5-dichlorophenyl)-2,4-dioxoimidazolidine-1-carboxamide
SMILESCC(NC(=O)N1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O)C1CC1
InChIInChI=1S/C15H15Cl2N3O3/c1-8(9-2-3-9)18-14(22)19-7-13(21)20(15(19)23)12-5-10(16)4-11(17)6-12/h4-6,8-9H,2-3,7H2,1H3,(H,18,22)
InChIKeyOIFHODQFMGWRPF-UHFFFAOYSA-N
XLogP3.27
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-3-(3,5-dichlorophenyl)-2,4-dioxoimidazolidine-1-carboxamide?
The IUPAC name of N-(1-cyclopropylethyl)-3-(3,5-dichlorophenyl)-2,4-dioxoimidazolidine-1-carboxamide (CID 70622830) is N-(1-cyclopropylethyl)-3-(3,5-dichlorophenyl)-2,4-dioxoimidazolidine-1-carboxamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-3-(3,5-dichlorophenyl)-2,4-dioxoimidazolidine-1-carboxamide?
The canonical SMILES for N-(1-cyclopropylethyl)-3-(3,5-dichlorophenyl)-2,4-dioxoimidazolidine-1-carboxamide is CC(NC(=O)N1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-3-(3,5-dichlorophenyl)-2,4-dioxoimidazolidine-1-carboxamide?
The InChIKey is OIFHODQFMGWRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O3/c1-8(9-2-3-9)18-14(22)19-7-13(21)20(15(19)23)12-5-10(16)4-11(17)6-12/h4-6,8-9H,2-3,7H2,1H3,(H,18,22).
What are the key properties of N-(1-cyclopropylethyl)-3-(3,5-dichlorophenyl)-2,4-dioxoimidazolidine-1-carboxamide?
N-(1-cyclopropylethyl)-3-(3,5-dichlorophenyl)-2,4-dioxoimidazolidine-1-carboxamide has a molecular weight of 356.21 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-3-(3,5-dichlorophenyl)-2,4-dioxoimidazolidine-1-carboxamide is sourced from PubChem (CID 70622830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).