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

C11H7Cl2N3O4 — CID 134135917

IUPACN-(2,5-dichlorophenyl)-2,4,6-trioxo-1,3-diazinane-5-carboxamide
SMILESO=C1NC(=O)C(C(=O)Nc2cc(Cl)ccc2Cl)C(=O)N1
InChIInChI=1S/C11H7Cl2N3O4/c12-4-1-2-5(13)6(3-4)14-8(17)7-9(18)15-11(20)16-10(7)19/h1-3,7H,(H,14,17)(H2,15,16,18,19,20)
InChIKeyCRUPFCJBBUFNFR-UHFFFAOYSA-N
MW316.10 g/mol
LogP0.91
Rot. Bonds2

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

N-(2,5-dichlorophenyl)-2,4,6-trioxo-1,3-diazinane-5-carboxamide (PubChem CID 134135917) has the molecular formula C11H7Cl2N3O4 and a molecular weight of 316.10 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2,4,6-trioxo-1,3-diazinane-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2,4,6-trioxo-1,3-diazinane-5-carboxamide
PubChem CID134135917
Molecular FormulaC11H7Cl2N3O4
Molecular Weight316.10 g/mol
Exact Mass314.98
IUPAC NameN-(2,5-dichlorophenyl)-2,4,6-trioxo-1,3-diazinane-5-carboxamide
SMILESO=C1NC(=O)C(C(=O)Nc2cc(Cl)ccc2Cl)C(=O)N1
InChIInChI=1S/C11H7Cl2N3O4/c12-4-1-2-5(13)6(3-4)14-8(17)7-9(18)15-11(20)16-10(7)19/h1-3,7H,(H,14,17)(H2,15,16,18,19,20)
InChIKeyCRUPFCJBBUFNFR-UHFFFAOYSA-N
XLogP0.91
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.10
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N,1-N'-bis(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 155683538
2-[(2,5-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270465
(2R)-N-(2,5-dichlorophenyl)oxolane-2-carboxamide
CID 1086830
N-(2,5-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide
CID 63720795
1-N-(2,5-dichlorophenyl)-2-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109140988
4-amino-N-(2,5-dichlorophenyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628190
(2Z)-N-(2,5-dichlorophenyl)-2-hydroxyiminoacetamide
CID 6409669
N-(2,4-dichlorophenyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 142439377
(1R,6R)-6-[(2,5-dichlorophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate
CID 6944635
N-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinane-5-carboxamide
CID 134157564
2-chloro-N-(2,5-dichlorophenyl)-3-oxobutanamide
CID 142639963
methyl (4S)-4-[(5-chloro-2-methylphenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 41090528

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2,4,6-trioxo-1,3-diazinane-5-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2,4,6-trioxo-1,3-diazinane-5-carboxamide (CID 134135917) is N-(2,5-dichlorophenyl)-2,4,6-trioxo-1,3-diazinane-5-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2,4,6-trioxo-1,3-diazinane-5-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2,4,6-trioxo-1,3-diazinane-5-carboxamide is O=C1NC(=O)C(C(=O)Nc2cc(Cl)ccc2Cl)C(=O)N1.
What is the InChIKey of N-(2,5-dichlorophenyl)-2,4,6-trioxo-1,3-diazinane-5-carboxamide?
The InChIKey is CRUPFCJBBUFNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N3O4/c12-4-1-2-5(13)6(3-4)14-8(17)7-9(18)15-11(20)16-10(7)19/h1-3,7H,(H,14,17)(H2,15,16,18,19,20).
What are the key properties of N-(2,5-dichlorophenyl)-2,4,6-trioxo-1,3-diazinane-5-carboxamide?
N-(2,5-dichlorophenyl)-2,4,6-trioxo-1,3-diazinane-5-carboxamide has a molecular weight of 316.10 g/mol, XLogP of 0.91, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2,4,6-trioxo-1,3-diazinane-5-carboxamide is sourced from PubChem (CID 134135917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).