1-(2,3-dichlorophenyl)-1,3-diazinane-2,4-dione

C10H8Cl2N2O2 — CID 79776901

IUPAC1-(2,3-dichlorophenyl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2cccc(Cl)c2Cl)C(=O)N1
InChIInChI=1S/C10H8Cl2N2O2/c11-6-2-1-3-7(9(6)12)14-5-4-8(15)13-10(14)16/h1-3H,4-5H2,(H,13,15,16)
InChIKeyQOERPBZHFNBTNU-UHFFFAOYSA-N
MW259.09 g/mol
LogP2.44
Rot. Bonds1

About 1-(2,3-dichlorophenyl)-1,3-diazinane-2,4-dione

1-(2,3-dichlorophenyl)-1,3-diazinane-2,4-dione (PubChem CID 79776901) has the molecular formula C10H8Cl2N2O2 and a molecular weight of 259.09 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-1,3-diazinane-2,4-dione
PubChem CID79776901
Molecular FormulaC10H8Cl2N2O2
Molecular Weight259.09 g/mol
Exact Mass258.00
IUPAC Name1-(2,3-dichlorophenyl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2cccc(Cl)c2Cl)C(=O)N1
InChIInChI=1S/C10H8Cl2N2O2/c11-6-2-1-3-7(9(6)12)14-5-4-8(15)13-10(14)16/h1-3H,4-5H2,(H,13,15,16)
InChIKeyQOERPBZHFNBTNU-UHFFFAOYSA-N
XLogP2.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.09
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxyphenyl)-1,3-diazinane-2,4-dione
CID 15060157
1-(5-bromo-2-chlorophenyl)-1,3-diazinane-2,4-dione
CID 79776913
3-bromo-1-(2,3-dichlorophenyl)pyrrolidin-2-one
CID 63787709
1-(1-methyl-2-oxo-3-pyridinyl)-1,3-diazinane-2,4-dione
CID 155261434
1-(2-methyl-3-propan-2-ylphenyl)-1,3-diazinane-2,4-dione
CID 170954148
1-[2-chloro-3-[4-(2,2-dimethyl-6-oxopiperidin-1-yl)phenyl]phenyl]-1,3-diazinane-2,4-dione
CID 178098837
1-(1-methylindol-4-yl)-1,3-diazinane-2,4-dione
CID 168870529
tert-butyl 4-[2-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidine-1-carboxylate
CID 178099092
1-[2-chloro-3-[4-(5-oxo-6-oxa-4-azaspiro[2.5]octan-4-yl)phenyl]phenyl]-1,3-diazinane-2,4-dione
CID 178099108
1-[2-chloro-3-[4-(7-oxo-5-thia-6,8-diazaspiro[3.4]octan-8-yl)phenyl]phenyl]-1,3-diazinane-2,4-dione
CID 178099066
1-[2-chloro-3-[4-(6-oxo-7-oxa-5-azaspiro[3.5]nonan-5-yl)phenyl]phenyl]-1,3-diazinane-2,4-dione
CID 178098987
1-[2-chloro-3-[4-[[2-oxo-3-(2,2,2-trifluoroethyl)-1,3-diazinan-1-yl]methyl]phenyl]phenyl]-1,3-diazinane-2,4-dione
CID 178098836

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(2,3-dichlorophenyl)-1,3-diazinane-2,4-dione (CID 79776901) is 1-(2,3-dichlorophenyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(2,3-dichlorophenyl)-1,3-diazinane-2,4-dione is O=C1CCN(c2cccc(Cl)c2Cl)C(=O)N1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-1,3-diazinane-2,4-dione?
The InChIKey is QOERPBZHFNBTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O2/c11-6-2-1-3-7(9(6)12)14-5-4-8(15)13-10(14)16/h1-3H,4-5H2,(H,13,15,16).
What are the key properties of 1-(2,3-dichlorophenyl)-1,3-diazinane-2,4-dione?
1-(2,3-dichlorophenyl)-1,3-diazinane-2,4-dione has a molecular weight of 259.09 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 79776901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).