N-(2,3-dichlorophenyl)-1-methyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide

C12H9Cl2N3O4 — CID 134147879

IUPACN-(2,3-dichlorophenyl)-1-methyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide
SMILESCN1C(=O)NC(=O)C(C(=O)Nc2cccc(Cl)c2Cl)C1=O
InChIInChI=1S/C12H9Cl2N3O4/c1-17-11(20)7(10(19)16-12(17)21)9(18)15-6-4-2-3-5(13)8(6)14/h2-4,7H,1H3,(H,15,18)(H,16,19,21)
InChIKeyLBSKROCSUANXBX-UHFFFAOYSA-N
MW330.13 g/mol
LogP1.26
Rot. Bonds2

About N-(2,3-dichlorophenyl)-1-methyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide

N-(2,3-dichlorophenyl)-1-methyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide (PubChem CID 134147879) has the molecular formula C12H9Cl2N3O4 and a molecular weight of 330.13 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-1-methyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-1-methyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide
PubChem CID134147879
Molecular FormulaC12H9Cl2N3O4
Molecular Weight330.13 g/mol
Exact Mass329.00
IUPAC NameN-(2,3-dichlorophenyl)-1-methyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide
SMILESCN1C(=O)NC(=O)C(C(=O)Nc2cccc(Cl)c2Cl)C1=O
InChIInChI=1S/C12H9Cl2N3O4/c1-17-11(20)7(10(19)16-12(17)21)9(18)15-6-4-2-3-5(13)8(6)14/h2-4,7H,1H3,(H,15,18)(H,16,19,21)
InChIKeyLBSKROCSUANXBX-UHFFFAOYSA-N
XLogP1.26
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.13
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dichlorophenyl)-2,4,6-trioxo-1-phenyl-1,3-diazinane-5-carboxamide
CID 134149976
N-(2,3-dichlorophenyl)cyclopropanecarboxamide
CID 4652086
N-(2,3-dichlorophenyl)cyclohexanecarboxamide
CID 836509
N-(2,3-dichlorophenyl)-4-[(1S,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]cyclohexane-1-carboxamide
CID 6594097
N-(2,3-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide
CID 55231498
N-(2,3-dichlorophenyl)-4-methyl-2-oxo-6-phenyl-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 123588567
N-(2,3-dichlorophenyl)-4-hydroxycyclohexane-1-carboxamide
CID 112524536
(7R)-N-(2,3-dichlorophenyl)-2-methyl-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135902840
1-butyl-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082588
N-(2,3-dichlorophenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 4202412
N-(2,3-dichlorophenyl)-4-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]cyclohexane-1-carboxamide
CID 124713960
N-(2,3-dichlorophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45019585

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-1-methyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-1-methyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide (CID 134147879) is N-(2,3-dichlorophenyl)-1-methyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-1-methyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-1-methyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide is CN1C(=O)NC(=O)C(C(=O)Nc2cccc(Cl)c2Cl)C1=O.
What is the InChIKey of N-(2,3-dichlorophenyl)-1-methyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide?
The InChIKey is LBSKROCSUANXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O4/c1-17-11(20)7(10(19)16-12(17)21)9(18)15-6-4-2-3-5(13)8(6)14/h2-4,7H,1H3,(H,15,18)(H,16,19,21).
What are the key properties of N-(2,3-dichlorophenyl)-1-methyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide?
N-(2,3-dichlorophenyl)-1-methyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide has a molecular weight of 330.13 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-1-methyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide is sourced from PubChem (CID 134147879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).