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

C18H15Cl2N3O4 — CID 78450787

IUPACN-(2,5-dichlorophenyl)-1-(4-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
SMILESCOc1ccc(N2C(=O)NCC(C(=O)Nc3cc(Cl)ccc3Cl)C2=O)cc1
InChIInChI=1S/C18H15Cl2N3O4/c1-27-12-5-3-11(4-6-12)23-17(25)13(9-21-18(23)26)16(24)22-15-8-10(19)2-7-14(15)20/h2-8,13H,9H2,1H3,(H,21,26)(H,22,24)
InChIKeyWINUTZXOWWZJCU-UHFFFAOYSA-N
MW408.24 g/mol
LogP3.31
Rot. Bonds4

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

N-(2,5-dichlorophenyl)-1-(4-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide (PubChem CID 78450787) has the molecular formula C18H15Cl2N3O4 and a molecular weight of 408.24 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-1-(4-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-1-(4-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
PubChem CID78450787
Molecular FormulaC18H15Cl2N3O4
Molecular Weight408.24 g/mol
Exact Mass407.04
IUPAC NameN-(2,5-dichlorophenyl)-1-(4-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
SMILESCOc1ccc(N2C(=O)NCC(C(=O)Nc3cc(Cl)ccc3Cl)C2=O)cc1
InChIInChI=1S/C18H15Cl2N3O4/c1-27-12-5-3-11(4-6-12)23-17(25)13(9-21-18(23)26)16(24)22-15-8-10(19)2-7-14(15)20/h2-8,13H,9H2,1H3,(H,21,26)(H,22,24)
InChIKeyWINUTZXOWWZJCU-UHFFFAOYSA-N
XLogP3.31
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.24
LogP ≤ 53.31
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-(5-chloro-2-methoxyphenyl)-1-(3,4-dimethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 73329512
N-(5-chloro-2-methoxyphenyl)-1-(4-ethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78342444
1-(4-fluorophenyl)-N-(4-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78450908
N-(4-chlorophenyl)-1-(3-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78348288
N-(2-methoxy-5-methylphenyl)-1-(3-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78450873
1-(3-chloro-4-fluorophenyl)-2,6-dioxo-N-phenyl-1,3-diazinane-5-carboxamide
CID 78450917
1-(4-chlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 73329476
1-(3-chloro-4-fluorophenyl)-N-(3-fluoro-4-methylphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78450947
N-(2,5-dichlorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 2655404
N-(2,6-dimethylphenyl)-1-(4-ethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78450790
5-methoxy-3-(4-methoxyphenyl)-1,3-diazinane-2,4-dione
CID 114144840
1-N-(2,5-dichlorophenyl)-2-N-(3-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143403

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-1-(4-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-1-(4-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide (CID 78450787) is N-(2,5-dichlorophenyl)-1-(4-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-1-(4-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-1-(4-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide is COc1ccc(N2C(=O)NCC(C(=O)Nc3cc(Cl)ccc3Cl)C2=O)cc1.
What is the InChIKey of N-(2,5-dichlorophenyl)-1-(4-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide?
The InChIKey is WINUTZXOWWZJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O4/c1-27-12-5-3-11(4-6-12)23-17(25)13(9-21-18(23)26)16(24)22-15-8-10(19)2-7-14(15)20/h2-8,13H,9H2,1H3,(H,21,26)(H,22,24).
What are the key properties of N-(2,5-dichlorophenyl)-1-(4-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide?
N-(2,5-dichlorophenyl)-1-(4-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide has a molecular weight of 408.24 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-1-(4-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide is sourced from PubChem (CID 78450787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).