1-(4-chloro-2-methylphenyl)-3-methyl-1,3-diazinane-2,4-dione

C12H13ClN2O2 — CID 3059885

IUPAC1-(4-chloro-2-methylphenyl)-3-methyl-1,3-diazinane-2,4-dione
SMILESCc1cc(Cl)ccc1N1CCC(=O)N(C)C1=O
InChIInChI=1S/C12H13ClN2O2/c1-8-7-9(13)3-4-10(8)15-6-5-11(16)14(2)12(15)17/h3-4,7H,5-6H2,1-2H3
InChIKeyKQYBIEOQYRCHLW-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.44
Rot. Bonds1

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

1-(4-chloro-2-methylphenyl)-3-methyl-1,3-diazinane-2,4-dione (PubChem CID 3059885) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-3-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-3-methyl-1,3-diazinane-2,4-dione
PubChem CID3059885
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name1-(4-chloro-2-methylphenyl)-3-methyl-1,3-diazinane-2,4-dione
SMILESCc1cc(Cl)ccc1N1CCC(=O)N(C)C1=O
InChIInChI=1S/C12H13ClN2O2/c1-8-7-9(13)3-4-10(8)15-6-5-11(16)14(2)12(15)17/h3-4,7H,5-6H2,1-2H3
InChIKeyKQYBIEOQYRCHLW-UHFFFAOYSA-N
XLogP2.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-3-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-3-methyl-1,3-diazinane-2,4-dione (CID 3059885) is 1-(4-chloro-2-methylphenyl)-3-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-3-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-3-methyl-1,3-diazinane-2,4-dione is Cc1cc(Cl)ccc1N1CCC(=O)N(C)C1=O.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-3-methyl-1,3-diazinane-2,4-dione?
The InChIKey is KQYBIEOQYRCHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-8-7-9(13)3-4-10(8)15-6-5-11(16)14(2)12(15)17/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 1-(4-chloro-2-methylphenyl)-3-methyl-1,3-diazinane-2,4-dione?
1-(4-chloro-2-methylphenyl)-3-methyl-1,3-diazinane-2,4-dione has a molecular weight of 252.70 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenyl)-3-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 3059885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).