3-(3,5-dichlorophenyl)imidazolidine-2,4-dione;N-propan-2-ylbenzamide

C19H19Cl2N3O3 — CID 174799453

IUPAC3-(3,5-dichlorophenyl)imidazolidine-2,4-dione;N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1.O=C1CNC(=O)N1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H13NO.C9H6Cl2N2O2/c1-8(2)11-10(12)9-6-4-3-5-7-9;10-5-1-6(11)3-7(2-5)13-8(14)4-12-9(13)15/h3-8H,1-2H3,(H,11,12);1-3H,4H2,(H,12,15)
InChIKeyCGXLGQQRFHAIBI-UHFFFAOYSA-N
MW408.29 g/mol
LogP3.87
Rot. Bonds3

About 3-(3,5-dichlorophenyl)imidazolidine-2,4-dione;N-propan-2-ylbenzamide

3-(3,5-dichlorophenyl)imidazolidine-2,4-dione;N-propan-2-ylbenzamide (PubChem CID 174799453) has the molecular formula C19H19Cl2N3O3 and a molecular weight of 408.29 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)imidazolidine-2,4-dione;N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)imidazolidine-2,4-dione;N-propan-2-ylbenzamide
PubChem CID174799453
Molecular FormulaC19H19Cl2N3O3
Molecular Weight408.29 g/mol
Exact Mass407.08
IUPAC Name3-(3,5-dichlorophenyl)imidazolidine-2,4-dione;N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1.O=C1CNC(=O)N1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H13NO.C9H6Cl2N2O2/c1-8(2)11-10(12)9-6-4-3-5-7-9;10-5-1-6(11)3-7(2-5)13-8(14)4-12-9(13)15/h3-8H,1-2H3,(H,11,12);1-3H,4H2,(H,12,15)
InChIKeyCGXLGQQRFHAIBI-UHFFFAOYSA-N
XLogP3.87
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.29
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-propan-2-ylbenzamide
CID 24045
CID 68891597
CID 68891597
3-chloro-N-propan-2-ylbenzamide
CID 669184
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide
CID 109043128
4-(4-phenylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide
CID 109043114
4-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-N-propan-2-ylbenzamide
CID 1472511
4-[(15R,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-N-propan-2-ylbenzamide
CID 1472510
N-[(1R)-1-(3-chlorophenyl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 51881405
4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide
CID 6621975
4-chloro-N-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 112760576
3-[(4-phenylbenzoyl)amino]-N-propan-2-ylbenzamide
CID 17197336
1-benzyl-2-oxo-N-propan-2-yl-3H-indole-5-carboxamide
CID 71840675

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)imidazolidine-2,4-dione;N-propan-2-ylbenzamide?
The IUPAC name of 3-(3,5-dichlorophenyl)imidazolidine-2,4-dione;N-propan-2-ylbenzamide (CID 174799453) is 3-(3,5-dichlorophenyl)imidazolidine-2,4-dione;N-propan-2-ylbenzamide.
What is the SMILES notation for 3-(3,5-dichlorophenyl)imidazolidine-2,4-dione;N-propan-2-ylbenzamide?
The canonical SMILES for 3-(3,5-dichlorophenyl)imidazolidine-2,4-dione;N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccccc1.O=C1CNC(=O)N1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-(3,5-dichlorophenyl)imidazolidine-2,4-dione;N-propan-2-ylbenzamide?
The InChIKey is CGXLGQQRFHAIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.C9H6Cl2N2O2/c1-8(2)11-10(12)9-6-4-3-5-7-9;10-5-1-6(11)3-7(2-5)13-8(14)4-12-9(13)15/h3-8H,1-2H3,(H,11,12);1-3H,4H2,(H,12,15).
What are the key properties of 3-(3,5-dichlorophenyl)imidazolidine-2,4-dione;N-propan-2-ylbenzamide?
3-(3,5-dichlorophenyl)imidazolidine-2,4-dione;N-propan-2-ylbenzamide has a molecular weight of 408.29 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)imidazolidine-2,4-dione;N-propan-2-ylbenzamide is sourced from PubChem (CID 174799453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).