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

C17H11Cl2N3O4 — CID 134149976

IUPACN-(2,3-dichlorophenyl)-2,4,6-trioxo-1-phenyl-1,3-diazinane-5-carboxamide
SMILESO=C1NC(=O)N(c2ccccc2)C(=O)C1C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C17H11Cl2N3O4/c18-10-7-4-8-11(13(10)19)20-14(23)12-15(24)21-17(26)22(16(12)25)9-5-2-1-3-6-9/h1-8,12H,(H,20,23)(H,21,24,26)
InChIKeyZABMHVHFXNHZMB-UHFFFAOYSA-N
MW392.20 g/mol
LogP2.83
Rot. Bonds3

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

N-(2,3-dichlorophenyl)-2,4,6-trioxo-1-phenyl-1,3-diazinane-5-carboxamide (PubChem CID 134149976) has the molecular formula C17H11Cl2N3O4 and a molecular weight of 392.20 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2,4,6-trioxo-1-phenyl-1,3-diazinane-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2,4,6-trioxo-1-phenyl-1,3-diazinane-5-carboxamide
PubChem CID134149976
Molecular FormulaC17H11Cl2N3O4
Molecular Weight392.20 g/mol
Exact Mass391.01
IUPAC NameN-(2,3-dichlorophenyl)-2,4,6-trioxo-1-phenyl-1,3-diazinane-5-carboxamide
SMILESO=C1NC(=O)N(c2ccccc2)C(=O)C1C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C17H11Cl2N3O4/c18-10-7-4-8-11(13(10)19)20-14(23)12-15(24)21-17(26)22(16(12)25)9-5-2-1-3-6-9/h1-8,12H,(H,20,23)(H,21,24,26)
InChIKeyZABMHVHFXNHZMB-UHFFFAOYSA-N
XLogP2.83
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.20
LogP ≤ 52.83
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)-1-methyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide
CID 134147879
1-(4-nitrophenyl)-2,4,6-trioxo-N-phenyl-1,3-diazinane-5-carboxamide
CID 134156117
1-(4-fluorophenyl)-3-[(2,4,6-trioxo-1-phenyl-1,3-diazinane-5-carbonyl)amino]urea
CID 134143529
N-(2,3-dichlorophenyl)cyclopropanecarboxamide
CID 4652086
N-(2,3-dichlorophenyl)-4-methyl-2-oxo-6-phenyl-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 123588567
N-(2,3-dichlorophenyl)cyclohexanecarboxamide
CID 836509
1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
CID 5174981
N-(2,3-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide
CID 55231498
N-(2,3-dichlorophenyl)-4-hydroxycyclohexane-1-carboxamide
CID 112524536
N-(2,3-dichlorophenyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 137108208
(3S)-1-(2-chlorophenyl)-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40569551
2-[(2,3-dichlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103977750

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2,4,6-trioxo-1-phenyl-1,3-diazinane-5-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2,4,6-trioxo-1-phenyl-1,3-diazinane-5-carboxamide (CID 134149976) is N-(2,3-dichlorophenyl)-2,4,6-trioxo-1-phenyl-1,3-diazinane-5-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2,4,6-trioxo-1-phenyl-1,3-diazinane-5-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2,4,6-trioxo-1-phenyl-1,3-diazinane-5-carboxamide is O=C1NC(=O)N(c2ccccc2)C(=O)C1C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-2,4,6-trioxo-1-phenyl-1,3-diazinane-5-carboxamide?
The InChIKey is ZABMHVHFXNHZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N3O4/c18-10-7-4-8-11(13(10)19)20-14(23)12-15(24)21-17(26)22(16(12)25)9-5-2-1-3-6-9/h1-8,12H,(H,20,23)(H,21,24,26).
What are the key properties of N-(2,3-dichlorophenyl)-2,4,6-trioxo-1-phenyl-1,3-diazinane-5-carboxamide?
N-(2,3-dichlorophenyl)-2,4,6-trioxo-1-phenyl-1,3-diazinane-5-carboxamide has a molecular weight of 392.20 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2,4,6-trioxo-1-phenyl-1,3-diazinane-5-carboxamide is sourced from PubChem (CID 134149976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).