1-benzyl-3-(4-chlorophenyl)-1,3-diazinane-2,4-dione

C17H15ClN2O2 — CID 10734075

IUPAC1-benzyl-3-(4-chlorophenyl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(Cc2ccccc2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O2/c18-14-6-8-15(9-7-14)20-16(21)10-11-19(17(20)22)12-13-4-2-1-3-5-13/h1-9H,10-12H2
InChIKeyZMDUQXUILOGVER-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.70
Rot. Bonds3

About 1-benzyl-3-(4-chlorophenyl)-1,3-diazinane-2,4-dione

1-benzyl-3-(4-chlorophenyl)-1,3-diazinane-2,4-dione (PubChem CID 10734075) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 1-benzyl-3-(4-chlorophenyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-benzyl-3-(4-chlorophenyl)-1,3-diazinane-2,4-dione
PubChem CID10734075
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name1-benzyl-3-(4-chlorophenyl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(Cc2ccccc2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O2/c18-14-6-8-15(9-7-14)20-16(21)10-11-19(17(20)22)12-13-4-2-1-3-5-13/h1-9H,10-12H2
InChIKeyZMDUQXUILOGVER-UHFFFAOYSA-N
XLogP3.70
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-1-phenyl-1,3-diazinane-2,4-dione
CID 60835623
1-benzyl-3-(3,5-dimethylphenyl)-1,3-diazinane-2,4-dione
CID 2812716
1-benzyl-3-(4-methylphenyl)imidazolidine-2,4-dione
CID 164659301
1-tert-butyl-3-(4-chlorophenyl)-1,3-diazinane-2,4-dione
CID 60837921
3-(4-chlorophenyl)-1-cyclopropyl-1,3-diazinane-2,4-dione
CID 54924403
1-ethyl-3-(4-methylphenyl)-1,3-diazinane-2,4-dione
CID 62329323
1-(4-methylphenyl)-3-phenyl-1,3-diazinane-2,4-dione
CID 60837294
3-(4-fluorophenyl)-1-phenyl-1,3-diazinane-2,4-dione
CID 60835786
(5S)-1-benzyl-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 97046899
4-benzyl-1-[2-(4-chlorophenoxy)ethyl]-1,4-diazepan-5-one
CID 24733010
1-benzyl-3-(4-bromophenyl)imidazolidin-2-one
CID 118239025
1-benzyl-5-chloro-2,3-dihydroindole
CID 12733465

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-chlorophenyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-benzyl-3-(4-chlorophenyl)-1,3-diazinane-2,4-dione (CID 10734075) is 1-benzyl-3-(4-chlorophenyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-benzyl-3-(4-chlorophenyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-benzyl-3-(4-chlorophenyl)-1,3-diazinane-2,4-dione is O=C1CCN(Cc2ccccc2)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of 1-benzyl-3-(4-chlorophenyl)-1,3-diazinane-2,4-dione?
The InChIKey is ZMDUQXUILOGVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c18-14-6-8-15(9-7-14)20-16(21)10-11-19(17(20)22)12-13-4-2-1-3-5-13/h1-9H,10-12H2.
What are the key properties of 1-benzyl-3-(4-chlorophenyl)-1,3-diazinane-2,4-dione?
1-benzyl-3-(4-chlorophenyl)-1,3-diazinane-2,4-dione has a molecular weight of 314.77 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-chlorophenyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 10734075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).