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

C11H11ClN2O2 — CID 3059888

IUPAC1-(4-chlorophenyl)-3-methyl-1,3-diazinane-2,4-dione
SMILESCN1C(=O)CCN(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C11H11ClN2O2/c1-13-10(15)6-7-14(11(13)16)9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3
InChIKeyOOAAGWMBSXRCET-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.13
Rot. Bonds1

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

1-(4-chlorophenyl)-3-methyl-1,3-diazinane-2,4-dione (PubChem CID 3059888) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-methyl-1,3-diazinane-2,4-dione
PubChem CID3059888
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name1-(4-chlorophenyl)-3-methyl-1,3-diazinane-2,4-dione
SMILESCN1C(=O)CCN(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C11H11ClN2O2/c1-13-10(15)6-7-14(11(13)16)9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3
InChIKeyOOAAGWMBSXRCET-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-[4-(4-Chlorophenyl)piperazin-1-yl]ethan-1-one
CID 258327
1-Phenyl-1,3-diazinane-2,4-dione
CID 638639
1-(3,4-Dichlorophenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783423
1-(3,5-Dichlorophenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783424
3-(4-chlorophenyl)-6-methyl-1H-pyrimidine-2,4-dione
CID 3454747
ST50544519
CID 302981
6-(4-chloroanilino)-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione
CID 777117
5-acetyl-1-(4-chlorophenyl)-2,4(1H,3H)-pyrimidinedione
CID 3619026
4-amino-N-(3-chlorophenyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide
CID 4792068
N-(4-Chlorophenyl)-4-methyl-1-piperazinepropanamide
CID 574916
3-[4-(4-Chlorophenyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione
CID 2839645

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(4-chlorophenyl)-3-methyl-1,3-diazinane-2,4-dione (CID 3059888) is 1-(4-chlorophenyl)-3-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-3-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(4-chlorophenyl)-3-methyl-1,3-diazinane-2,4-dione is CN1C(=O)CCN(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 1-(4-chlorophenyl)-3-methyl-1,3-diazinane-2,4-dione?
The InChIKey is OOAAGWMBSXRCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-13-10(15)6-7-14(11(13)16)9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-methyl-1,3-diazinane-2,4-dione?
1-(4-chlorophenyl)-3-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 1-(4-chlorophenyl)-3-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 3059888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).