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

C17H11Cl2N3O4 — CID 134150915

IUPACN-(3,4-dichlorophenyl)-2,4,6-trioxo-1-phenyl-1,3-diazinane-5-carboxamide
SMILESO=C1NC(=O)N(c2ccccc2)C(=O)C1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H11Cl2N3O4/c18-11-7-6-9(8-12(11)19)20-14(23)13-15(24)21-17(26)22(16(13)25)10-4-2-1-3-5-10/h1-8,13H,(H,20,23)(H,21,24,26)
InChIKeyNREHNTHCACQXNW-UHFFFAOYSA-N
MW392.20 g/mol
LogP2.83
Rot. Bonds3

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

N-(3,4-dichlorophenyl)-2,4,6-trioxo-1-phenyl-1,3-diazinane-5-carboxamide (PubChem CID 134150915) has the molecular formula C17H11Cl2N3O4 and a molecular weight of 392.20 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2,4,6-trioxo-1-phenyl-1,3-diazinane-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2,4,6-trioxo-1-phenyl-1,3-diazinane-5-carboxamide
PubChem CID134150915
Molecular FormulaC17H11Cl2N3O4
Molecular Weight392.20 g/mol
Exact Mass391.01
IUPAC NameN-(3,4-dichlorophenyl)-2,4,6-trioxo-1-phenyl-1,3-diazinane-5-carboxamide
SMILESO=C1NC(=O)N(c2ccccc2)C(=O)C1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H11Cl2N3O4/c18-11-7-6-9(8-12(11)19)20-14(23)13-15(24)21-17(26)22(16(13)25)10-4-2-1-3-5-10/h1-8,13H,(H,20,23)(H,21,24,26)
InChIKeyNREHNTHCACQXNW-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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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2,4,6-trioxo-1-phenyl-1,3-diazinane-5-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2,4,6-trioxo-1-phenyl-1,3-diazinane-5-carboxamide (CID 134150915) is N-(3,4-dichlorophenyl)-2,4,6-trioxo-1-phenyl-1,3-diazinane-5-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2,4,6-trioxo-1-phenyl-1,3-diazinane-5-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2,4,6-trioxo-1-phenyl-1,3-diazinane-5-carboxamide is O=C1NC(=O)N(c2ccccc2)C(=O)C1C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2,4,6-trioxo-1-phenyl-1,3-diazinane-5-carboxamide?
The InChIKey is NREHNTHCACQXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N3O4/c18-11-7-6-9(8-12(11)19)20-14(23)13-15(24)21-17(26)22(16(13)25)10-4-2-1-3-5-10/h1-8,13H,(H,20,23)(H,21,24,26).
What are the key properties of N-(3,4-dichlorophenyl)-2,4,6-trioxo-1-phenyl-1,3-diazinane-5-carboxamide?
N-(3,4-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-(3,4-dichlorophenyl)-2,4,6-trioxo-1-phenyl-1,3-diazinane-5-carboxamide is sourced from PubChem (CID 134150915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).