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

C18H16ClN3O4 — CID 78348288

IUPACN-(4-chlorophenyl)-1-(3-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
SMILESCOc1cccc(N2C(=O)NCC(C(=O)Nc3ccc(Cl)cc3)C2=O)c1
InChIInChI=1S/C18H16ClN3O4/c1-26-14-4-2-3-13(9-14)22-17(24)15(10-20-18(22)25)16(23)21-12-7-5-11(19)6-8-12/h2-9,15H,10H2,1H3,(H,20,25)(H,21,23)
InChIKeyXOZRRENTOUAVJA-UHFFFAOYSA-N
MW373.80 g/mol
LogP2.66
Rot. Bonds4

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

N-(4-chlorophenyl)-1-(3-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide (PubChem CID 78348288) has the molecular formula C18H16ClN3O4 and a molecular weight of 373.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(3-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(3-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
PubChem CID78348288
Molecular FormulaC18H16ClN3O4
Molecular Weight373.80 g/mol
Exact Mass373.08
IUPAC NameN-(4-chlorophenyl)-1-(3-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
SMILESCOc1cccc(N2C(=O)NCC(C(=O)Nc3ccc(Cl)cc3)C2=O)c1
InChIInChI=1S/C18H16ClN3O4/c1-26-14-4-2-3-13(9-14)22-17(24)15(10-20-18(22)25)16(23)21-12-7-5-11(19)6-8-12/h2-9,15H,10H2,1H3,(H,20,25)(H,21,23)
InChIKeyXOZRRENTOUAVJA-UHFFFAOYSA-N
XLogP2.66
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.80
LogP ≤ 52.66
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

1-(3-methoxyphenyl)-N-(4-methyl-3-nitrophenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78450797
N-(2-methoxy-5-methylphenyl)-1-(3-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78450873
1-(4-fluorophenyl)-N-(4-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78450908
1-(3-chloro-4-fluorophenyl)-2,6-dioxo-N-phenyl-1,3-diazinane-5-carboxamide
CID 78450917
N-(2,5-dichlorophenyl)-1-(4-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78450787
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-(5-chloro-2-methoxyphenyl)-1-(4-ethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78342444
1-(4-fluorophenyl)-2,6-dioxo-N-(4-propan-2-ylphenyl)-1,3-diazinane-5-carboxamide
CID 78450900
N-(3-acetylphenyl)-1-(4-fluorophenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78444214
N-(4-fluoro-3-nitrophenyl)-1-(4-methylphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78450781
1-N-(4-chlorophenyl)-1-N'-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108982578

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(3-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-(3-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide (CID 78348288) is N-(4-chlorophenyl)-1-(3-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-(3-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-(3-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide is COc1cccc(N2C(=O)NCC(C(=O)Nc3ccc(Cl)cc3)C2=O)c1.
What is the InChIKey of N-(4-chlorophenyl)-1-(3-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide?
The InChIKey is XOZRRENTOUAVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O4/c1-26-14-4-2-3-13(9-14)22-17(24)15(10-20-18(22)25)16(23)21-12-7-5-11(19)6-8-12/h2-9,15H,10H2,1H3,(H,20,25)(H,21,23).
What are the key properties of N-(4-chlorophenyl)-1-(3-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide?
N-(4-chlorophenyl)-1-(3-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide has a molecular weight of 373.80 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(3-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide is sourced from PubChem (CID 78348288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).