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

C11H11ClN2O2 — CID 3059886

IUPAC3-(2-chlorophenyl)-1-methyl-1,3-diazinane-2,4-dione
SMILESCN1CCC(=O)N(c2ccccc2Cl)C1=O
InChIInChI=1S/C11H11ClN2O2/c1-13-7-6-10(15)14(11(13)16)9-5-3-2-4-8(9)12/h2-5H,6-7H2,1H3
InChIKeyVPRDYEWQGKZTHL-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.13
Rot. Bonds1

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

3-(2-chlorophenyl)-1-methyl-1,3-diazinane-2,4-dione (PubChem CID 3059886) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-methyl-1,3-diazinane-2,4-dione
PubChem CID3059886
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name3-(2-chlorophenyl)-1-methyl-1,3-diazinane-2,4-dione
SMILESCN1CCC(=O)N(c2ccccc2Cl)C1=O
InChIInChI=1S/C11H11ClN2O2/c1-13-7-6-10(15)14(11(13)16)9-5-3-2-4-8(9)12/h2-5H,6-7H2,1H3
InChIKeyVPRDYEWQGKZTHL-UHFFFAOYSA-N
XLogP2.13
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Chloro-phenyl)-pyrimidine-2,4,6-trione
CID 2179730
1-Phenyl-1,3-diazinane-2,4-dione
CID 638639
1-(2-Chlorophenylcarbamoyl)-2-methylpiperidine
CID 3136155
6-(4-Chloroanilino)-1,3-dimethylpyrimidine-2,4-dione
CID 777117
N-(2-chlorophenyl)-N'-[2-(1-piperidinyl)ethyl]urea
CID 6467226
1-(4-Chlorophenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783215
1-(3-Chlorophenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783220
1-Butyl-3-(2-chlorophenyl)-4-hydroxy-4,6,6-trimethyl-1,3-diazinan-2-one
CID 3760306
6-(4-chloroanilino)-3-methyl-2,4(1H,3H)-pyrimidinedione
CID 777252
2,4(1H,3H)-Pyrimidinedione, dihydro-1-(4-chlorophenyl)-3-methyl-
CID 3059888
N-(2-chlorophenyl)-N-methylacetamide
CID 2735253
3-(2-Chlorophenyl)-1,1-diethylurea
CID 302973

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of 3-(2-chlorophenyl)-1-methyl-1,3-diazinane-2,4-dione (CID 3059886) is 3-(2-chlorophenyl)-1-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3-(2-chlorophenyl)-1-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 3-(2-chlorophenyl)-1-methyl-1,3-diazinane-2,4-dione is CN1CCC(=O)N(c2ccccc2Cl)C1=O.
What is the InChIKey of 3-(2-chlorophenyl)-1-methyl-1,3-diazinane-2,4-dione?
The InChIKey is VPRDYEWQGKZTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-13-7-6-10(15)14(11(13)16)9-5-3-2-4-8(9)12/h2-5H,6-7H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-1-methyl-1,3-diazinane-2,4-dione?
3-(2-chlorophenyl)-1-methyl-1,3-diazinane-2,4-dione has a molecular weight of 238.67 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 3059886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).