1-[2-(2,4-dichlorophenyl)ethyl]-5-methyl-1,3-diazinane-2,4-dione

C13H14Cl2N2O2 — CID 79777156

IUPAC1-[2-(2,4-dichlorophenyl)ethyl]-5-methyl-1,3-diazinane-2,4-dione
SMILESCC1CN(CCc2ccc(Cl)cc2Cl)C(=O)NC1=O
InChIInChI=1S/C13H14Cl2N2O2/c1-8-7-17(13(19)16-12(8)18)5-4-9-2-3-10(14)6-11(9)15/h2-3,6,8H,4-5,7H2,1H3,(H,16,18,19)
InChIKeyKYBZWNATQSIGJF-UHFFFAOYSA-N
MW301.17 g/mol
LogP2.72
Rot. Bonds3

About 1-[2-(2,4-dichlorophenyl)ethyl]-5-methyl-1,3-diazinane-2,4-dione

1-[2-(2,4-dichlorophenyl)ethyl]-5-methyl-1,3-diazinane-2,4-dione (PubChem CID 79777156) has the molecular formula C13H14Cl2N2O2 and a molecular weight of 301.17 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)ethyl]-5-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)ethyl]-5-methyl-1,3-diazinane-2,4-dione
PubChem CID79777156
Molecular FormulaC13H14Cl2N2O2
Molecular Weight301.17 g/mol
Exact Mass300.04
IUPAC Name1-[2-(2,4-dichlorophenyl)ethyl]-5-methyl-1,3-diazinane-2,4-dione
SMILESCC1CN(CCc2ccc(Cl)cc2Cl)C(=O)NC1=O
InChIInChI=1S/C13H14Cl2N2O2/c1-8-7-17(13(19)16-12(8)18)5-4-9-2-3-10(14)6-11(9)15/h2-3,6,8H,4-5,7H2,1H3,(H,16,18,19)
InChIKeyKYBZWNATQSIGJF-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(chloromethyl)-1-[2-(2,4-dichlorophenyl)ethyl]pyrrolidin-2-one
CID 168508293
methyl 1-[2-(2,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168694167
4-amino-1-[2-(2,5-dichlorophenyl)ethyl]pyrrolidin-2-one
CID 168700170
4-(chloromethyl)-1-[2-(2,5-dichlorophenyl)ethyl]pyrrolidin-2-one
CID 168508277
2-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazinane-3,5,6-trione
CID 73295703
1,4-dichloro-2-[2-(2,4-dichlorophenyl)ethyl]benzene
CID 173469759
1-[2-(2,4-dichlorophenyl)ethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 113185877
1-but-3-ynyl-5-methyl-1,3-diazinane-2,4-dione
CID 77069594
5-cyclopropyl-1-[2-(2,4-dichlorophenyl)ethyl]-2-methylpiperazine
CID 64933546
[1-[2-(2,5-dichlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681951
1-[2-(2,5-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691364
1-[2-(2,4-dichlorophenyl)ethyl]-5-ethyl-2,5-dimethylpiperazine
CID 64933741

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)ethyl]-5-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)ethyl]-5-methyl-1,3-diazinane-2,4-dione (CID 79777156) is 1-[2-(2,4-dichlorophenyl)ethyl]-5-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)ethyl]-5-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)ethyl]-5-methyl-1,3-diazinane-2,4-dione is CC1CN(CCc2ccc(Cl)cc2Cl)C(=O)NC1=O.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)ethyl]-5-methyl-1,3-diazinane-2,4-dione?
The InChIKey is KYBZWNATQSIGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O2/c1-8-7-17(13(19)16-12(8)18)5-4-9-2-3-10(14)6-11(9)15/h2-3,6,8H,4-5,7H2,1H3,(H,16,18,19).
What are the key properties of 1-[2-(2,4-dichlorophenyl)ethyl]-5-methyl-1,3-diazinane-2,4-dione?
1-[2-(2,4-dichlorophenyl)ethyl]-5-methyl-1,3-diazinane-2,4-dione has a molecular weight of 301.17 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)ethyl]-5-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 79777156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).