4-chloro-N-(3-ethyl-2,4-dioxoimidazolidin-1-yl)benzamide

C12H12ClN3O3 — CID 15155796

IUPAC4-chloro-N-(3-ethyl-2,4-dioxoimidazolidin-1-yl)benzamide
SMILESCCN1C(=O)CN(NC(=O)c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C12H12ClN3O3/c1-2-15-10(17)7-16(12(15)19)14-11(18)8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3,(H,14,18)
InChIKeyJYEHIKMSCHHRIR-UHFFFAOYSA-N
MW281.70 g/mol
LogP1.27
Rot. Bonds3

About 4-chloro-N-(3-ethyl-2,4-dioxoimidazolidin-1-yl)benzamide

4-chloro-N-(3-ethyl-2,4-dioxoimidazolidin-1-yl)benzamide (PubChem CID 15155796) has the molecular formula C12H12ClN3O3 and a molecular weight of 281.70 g/mol. Its IUPAC name is 4-chloro-N-(3-ethyl-2,4-dioxoimidazolidin-1-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(3-ethyl-2,4-dioxoimidazolidin-1-yl)benzamide
PubChem CID15155796
Molecular FormulaC12H12ClN3O3
Molecular Weight281.70 g/mol
Exact Mass281.06
IUPAC Name4-chloro-N-(3-ethyl-2,4-dioxoimidazolidin-1-yl)benzamide
SMILESCCN1C(=O)CN(NC(=O)c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C12H12ClN3O3/c1-2-15-10(17)7-16(12(15)19)14-11(18)8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3,(H,14,18)
InChIKeyJYEHIKMSCHHRIR-UHFFFAOYSA-N
XLogP1.27
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 51.27
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 4-chloro-N-(3-ethyl-2,4-dioxoimidazolidin-1-yl)benzamide?
The IUPAC name of 4-chloro-N-(3-ethyl-2,4-dioxoimidazolidin-1-yl)benzamide (CID 15155796) is 4-chloro-N-(3-ethyl-2,4-dioxoimidazolidin-1-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(3-ethyl-2,4-dioxoimidazolidin-1-yl)benzamide?
The canonical SMILES for 4-chloro-N-(3-ethyl-2,4-dioxoimidazolidin-1-yl)benzamide is CCN1C(=O)CN(NC(=O)c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 4-chloro-N-(3-ethyl-2,4-dioxoimidazolidin-1-yl)benzamide?
The InChIKey is JYEHIKMSCHHRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O3/c1-2-15-10(17)7-16(12(15)19)14-11(18)8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3,(H,14,18).
What are the key properties of 4-chloro-N-(3-ethyl-2,4-dioxoimidazolidin-1-yl)benzamide?
4-chloro-N-(3-ethyl-2,4-dioxoimidazolidin-1-yl)benzamide has a molecular weight of 281.70 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-ethyl-2,4-dioxoimidazolidin-1-yl)benzamide is sourced from PubChem (CID 15155796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).