1-(4-chlorophenyl)-2-oxo-N-(2-phenoxyethyl)imidazolidine-4-carboxamide

C18H18ClN3O3 — CID 134793082

IUPAC1-(4-chlorophenyl)-2-oxo-N-(2-phenoxyethyl)imidazolidine-4-carboxamide
SMILESO=C(NCCOc1ccccc1)C1CN(c2ccc(Cl)cc2)C(=O)N1
InChIInChI=1S/C18H18ClN3O3/c19-13-6-8-14(9-7-13)22-12-16(21-18(22)24)17(23)20-10-11-25-15-4-2-1-3-5-15/h1-9,16H,10-12H2,(H,20,23)(H,21,24)
InChIKeyGJDDJBPLUHEIFP-UHFFFAOYSA-N
MW359.81 g/mol
LogP2.43
Rot. Bonds6

About 1-(4-chlorophenyl)-2-oxo-N-(2-phenoxyethyl)imidazolidine-4-carboxamide

1-(4-chlorophenyl)-2-oxo-N-(2-phenoxyethyl)imidazolidine-4-carboxamide (PubChem CID 134793082) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-oxo-N-(2-phenoxyethyl)imidazolidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-oxo-N-(2-phenoxyethyl)imidazolidine-4-carboxamide
PubChem CID134793082
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC Name1-(4-chlorophenyl)-2-oxo-N-(2-phenoxyethyl)imidazolidine-4-carboxamide
SMILESO=C(NCCOc1ccccc1)C1CN(c2ccc(Cl)cc2)C(=O)N1
InChIInChI=1S/C18H18ClN3O3/c19-13-6-8-14(9-7-13)22-12-16(21-18(22)24)17(23)20-10-11-25-15-4-2-1-3-5-15/h1-9,16H,10-12H2,(H,20,23)(H,21,24)
InChIKeyGJDDJBPLUHEIFP-UHFFFAOYSA-N
XLogP2.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-oxo-N-(2-phenoxyethyl)imidazolidine-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-2-oxo-N-(2-phenoxyethyl)imidazolidine-4-carboxamide (CID 134793082) is 1-(4-chlorophenyl)-2-oxo-N-(2-phenoxyethyl)imidazolidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-2-oxo-N-(2-phenoxyethyl)imidazolidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-2-oxo-N-(2-phenoxyethyl)imidazolidine-4-carboxamide is O=C(NCCOc1ccccc1)C1CN(c2ccc(Cl)cc2)C(=O)N1.
What is the InChIKey of 1-(4-chlorophenyl)-2-oxo-N-(2-phenoxyethyl)imidazolidine-4-carboxamide?
The InChIKey is GJDDJBPLUHEIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c19-13-6-8-14(9-7-13)22-12-16(21-18(22)24)17(23)20-10-11-25-15-4-2-1-3-5-15/h1-9,16H,10-12H2,(H,20,23)(H,21,24).
What are the key properties of 1-(4-chlorophenyl)-2-oxo-N-(2-phenoxyethyl)imidazolidine-4-carboxamide?
1-(4-chlorophenyl)-2-oxo-N-(2-phenoxyethyl)imidazolidine-4-carboxamide has a molecular weight of 359.81 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-oxo-N-(2-phenoxyethyl)imidazolidine-4-carboxamide is sourced from PubChem (CID 134793082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).