1-benzyl-5-chloro-1,3-diazinane-2,4-dione

C11H11ClN2O2 — CID 78209180

IUPAC1-benzyl-5-chloro-1,3-diazinane-2,4-dione
SMILESO=C1NC(=O)N(Cc2ccccc2)CC1Cl
InChIInChI=1S/C11H11ClN2O2/c12-9-7-14(11(16)13-10(9)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,15,16)
InChIKeyOKXDPACEQHTLKX-UHFFFAOYSA-N
MW238.67 g/mol
LogP1.35
Rot. Bonds2

About 1-benzyl-5-chloro-1,3-diazinane-2,4-dione

1-benzyl-5-chloro-1,3-diazinane-2,4-dione (PubChem CID 78209180) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 1-benzyl-5-chloro-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-benzyl-5-chloro-1,3-diazinane-2,4-dione
PubChem CID78209180
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name1-benzyl-5-chloro-1,3-diazinane-2,4-dione
SMILESO=C1NC(=O)N(Cc2ccccc2)CC1Cl
InChIInChI=1S/C11H11ClN2O2/c12-9-7-14(11(16)13-10(9)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,15,16)
InChIKeyOKXDPACEQHTLKX-UHFFFAOYSA-N
XLogP1.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,5-dibenzyl-1,3-diazinane-2,4-dione
CID 78176419
1-benzyl-2,4-dioxo-1,3-diazinane-5-carbonitrile
CID 76844517
(5R)-1-benzyl-2,4-dioxo-1,3-diazinane-5-carboximidamide
CID 7035831
(4S)-1-benzyl-4-phenylimidazolidin-2-one
CID 142669129
5-methyl-1-[(3-methylphenyl)methyl]-1,3-diazinane-2,4-dione
CID 76875693
1-[(3-bromophenyl)methyl]-5-methyl-1,3-diazinane-2,4-dione
CID 76875677
(3S,4S)-1-benzyl-3-chloro-4-(chloromethyl)pyrrolidin-2-one
CID 101020826
1-benzyl-4-(bromomethyl)pyrrolidin-2-one
CID 46703995
8-benzyl-3,8-diazabicyclo[3.2.1]octane-2,4-dione
CID 53484443
1,3-dibenzyl-5-phenyl-1,3-diazinan-2-one
CID 59057333
3-benzyl-5-ethyl-1,3-oxazolidin-2-one
CID 58532625
(5S)-3-benzyl-2-oxo-1,3-oxazolidine-5-carbaldehyde
CID 10954695

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-chloro-1,3-diazinane-2,4-dione?
The IUPAC name of 1-benzyl-5-chloro-1,3-diazinane-2,4-dione (CID 78209180) is 1-benzyl-5-chloro-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-benzyl-5-chloro-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-benzyl-5-chloro-1,3-diazinane-2,4-dione is O=C1NC(=O)N(Cc2ccccc2)CC1Cl.
What is the InChIKey of 1-benzyl-5-chloro-1,3-diazinane-2,4-dione?
The InChIKey is OKXDPACEQHTLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c12-9-7-14(11(16)13-10(9)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,15,16).
What are the key properties of 1-benzyl-5-chloro-1,3-diazinane-2,4-dione?
1-benzyl-5-chloro-1,3-diazinane-2,4-dione has a molecular weight of 238.67 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-chloro-1,3-diazinane-2,4-dione is sourced from PubChem (CID 78209180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).