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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Related Compounds

1-(4-chlorophenyl)-3-ethylimidazolidine-2,4-dione
CID 60837616
N-[3-[(E)-benzylideneamino]-2,4-dioxoimidazolidin-1-yl]-4-chlorobenzamide
CID 15155815
4-chloro-N-(2-methyl-3-oxo-6-phenyl-5H-1,2,4-triazin-4-yl)benzamide
CID 15149788
[2-(4-chlorophenyl)-2-oxoethyl] (3R)-1-[(4-chlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 40878074
N-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-4-ethylbenzamide
CID 138504168
N-[1-(4-chlorophenyl)propyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 17467880
N-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-4-chlorobenzamide
CID 27904607
methyl 3-(4-chlorophenyl)-2-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-3-oxopropanoate
CID 139260088
4-chloro-N-[(1R,2S,6S,7S,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]benzamide
CID 7005201
4-chloro-N-[(2S,6R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]benzamide
CID 11393741
4-chloro-N-[(1S,2S,6R,7R,8S,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]benzamide
CID 21174208
4-chloro-N-[(1R,2S,6S,7R,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]benzamide
CID 98044767

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).