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

C18H16FN3O4 — CID 78450908

IUPAC1-(4-fluorophenyl)-N-(4-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
SMILESCOc1ccc(NC(=O)C2CNC(=O)N(c3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C18H16FN3O4/c1-26-14-8-4-12(5-9-14)21-16(23)15-10-20-18(25)22(17(15)24)13-6-2-11(19)3-7-13/h2-9,15H,10H2,1H3,(H,20,25)(H,21,23)
InChIKeyMSIZPHXGWUXAIL-UHFFFAOYSA-N
MW357.34 g/mol
LogP2.15
Rot. Bonds4

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

1-(4-fluorophenyl)-N-(4-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide (PubChem CID 78450908) has the molecular formula C18H16FN3O4 and a molecular weight of 357.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(4-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(4-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
PubChem CID78450908
Molecular FormulaC18H16FN3O4
Molecular Weight357.34 g/mol
Exact Mass357.11
IUPAC Name1-(4-fluorophenyl)-N-(4-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
SMILESCOc1ccc(NC(=O)C2CNC(=O)N(c3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C18H16FN3O4/c1-26-14-8-4-12(5-9-14)21-16(23)15-10-20-18(25)22(17(15)24)13-6-2-11(19)3-7-13/h2-9,15H,10H2,1H3,(H,20,25)(H,21,23)
InChIKeyMSIZPHXGWUXAIL-UHFFFAOYSA-N
XLogP2.15
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 52.15
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-(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-chlorophenyl)-1-(3-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78348288
N-(2,5-dichlorophenyl)-1-(4-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78450787
1-(4-fluorophenyl)-2,6-dioxo-N-[3-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide
CID 78444206
N-(2,4-difluorophenyl)-1-(4-ethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78348162
1-(4-chlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 73329476
N-(4-fluoro-3-nitrophenyl)-1-(4-methylphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78450781
1-(3-chloro-4-fluorophenyl)-2,6-dioxo-N-phenyl-1,3-diazinane-5-carboxamide
CID 78450917
1-(3-methoxyphenyl)-N-(4-methyl-3-nitrophenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78450797
1-(3-chloro-4-fluorophenyl)-N-(3-fluoro-4-methylphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78450947
N-(1,3-benzodioxol-5-yl)-1-(3,4-dimethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78444230

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(4-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(4-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide (CID 78450908) is 1-(4-fluorophenyl)-N-(4-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(4-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(4-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide is COc1ccc(NC(=O)C2CNC(=O)N(c3ccc(F)cc3)C2=O)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(4-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide?
The InChIKey is MSIZPHXGWUXAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O4/c1-26-14-8-4-12(5-9-14)21-16(23)15-10-20-18(25)22(17(15)24)13-6-2-11(19)3-7-13/h2-9,15H,10H2,1H3,(H,20,25)(H,21,23).
What are the key properties of 1-(4-fluorophenyl)-N-(4-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide?
1-(4-fluorophenyl)-N-(4-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide has a molecular weight of 357.34 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(4-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide is sourced from PubChem (CID 78450908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).