3-(4-chlorobenzoyl)-1-phenylimidazolidine-2,4-dione

C16H11ClN2O3 — CID 10615215

IUPAC3-(4-chlorobenzoyl)-1-phenylimidazolidine-2,4-dione
SMILESO=C1CN(c2ccccc2)C(=O)N1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClN2O3/c17-12-8-6-11(7-9-12)15(21)19-14(20)10-18(16(19)22)13-4-2-1-3-5-13/h1-9H,10H2
InChIKeyGZPWMRWHYAODMI-UHFFFAOYSA-N
MW314.73 g/mol
LogP2.95
Rot. Bonds2

About 3-(4-chlorobenzoyl)-1-phenylimidazolidine-2,4-dione

3-(4-chlorobenzoyl)-1-phenylimidazolidine-2,4-dione (PubChem CID 10615215) has the molecular formula C16H11ClN2O3 and a molecular weight of 314.73 g/mol. Its IUPAC name is 3-(4-chlorobenzoyl)-1-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4-chlorobenzoyl)-1-phenylimidazolidine-2,4-dione
PubChem CID10615215
Molecular FormulaC16H11ClN2O3
Molecular Weight314.73 g/mol
Exact Mass314.05
IUPAC Name3-(4-chlorobenzoyl)-1-phenylimidazolidine-2,4-dione
SMILESO=C1CN(c2ccccc2)C(=O)N1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClN2O3/c17-12-8-6-11(7-9-12)15(21)19-14(20)10-18(16(19)22)13-4-2-1-3-5-13/h1-9H,10H2
InChIKeyGZPWMRWHYAODMI-UHFFFAOYSA-N
XLogP2.95
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorobenzoyl)-1-phenylimidazolidine-2,4-dione?
The IUPAC name of 3-(4-chlorobenzoyl)-1-phenylimidazolidine-2,4-dione (CID 10615215) is 3-(4-chlorobenzoyl)-1-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(4-chlorobenzoyl)-1-phenylimidazolidine-2,4-dione?
The canonical SMILES for 3-(4-chlorobenzoyl)-1-phenylimidazolidine-2,4-dione is O=C1CN(c2ccccc2)C(=O)N1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorobenzoyl)-1-phenylimidazolidine-2,4-dione?
The InChIKey is GZPWMRWHYAODMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O3/c17-12-8-6-11(7-9-12)15(21)19-14(20)10-18(16(19)22)13-4-2-1-3-5-13/h1-9H,10H2.
What are the key properties of 3-(4-chlorobenzoyl)-1-phenylimidazolidine-2,4-dione?
3-(4-chlorobenzoyl)-1-phenylimidazolidine-2,4-dione has a molecular weight of 314.73 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorobenzoyl)-1-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 10615215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).