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

C20H20FN3O3 — CID 78450900

IUPAC1-(4-fluorophenyl)-2,6-dioxo-N-(4-propan-2-ylphenyl)-1,3-diazinane-5-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2CNC(=O)N(c3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C20H20FN3O3/c1-12(2)13-3-7-15(8-4-13)23-18(25)17-11-22-20(27)24(19(17)26)16-9-5-14(21)6-10-16/h3-10,12,17H,11H2,1-2H3,(H,22,27)(H,23,25)
InChIKeyQBRXFBQUEFSNPN-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.26
Rot. Bonds4

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

1-(4-fluorophenyl)-2,6-dioxo-N-(4-propan-2-ylphenyl)-1,3-diazinane-5-carboxamide (PubChem CID 78450900) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2,6-dioxo-N-(4-propan-2-ylphenyl)-1,3-diazinane-5-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2,6-dioxo-N-(4-propan-2-ylphenyl)-1,3-diazinane-5-carboxamide
PubChem CID78450900
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Name1-(4-fluorophenyl)-2,6-dioxo-N-(4-propan-2-ylphenyl)-1,3-diazinane-5-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2CNC(=O)N(c3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C20H20FN3O3/c1-12(2)13-3-7-15(8-4-13)23-18(25)17-11-22-20(27)24(19(17)26)16-9-5-14(21)6-10-16/h3-10,12,17H,11H2,1-2H3,(H,22,27)(H,23,25)
InChIKeyQBRXFBQUEFSNPN-UHFFFAOYSA-N
XLogP3.26
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-N-(4-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78450908
N-(3-acetylphenyl)-1-(4-fluorophenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78444214
N-(4-fluorophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 46048508
1-(4-fluorophenyl)-2,6-dioxo-N-[3-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide
CID 78444206
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-(4-fluoro-3-nitrophenyl)-1-(4-methylphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78450781
N-(4-chlorophenyl)-1-(3-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78348288
N-(2,4-difluorophenyl)-1-(4-ethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78348162
1-(3,4-dimethylphenyl)-N-(4-nitrophenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78450804
N-(1,3-benzodioxol-5-yl)-1-(3,4-dimethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78444230
1-(4-fluorophenyl)-N-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 42853639

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2,6-dioxo-N-(4-propan-2-ylphenyl)-1,3-diazinane-5-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-2,6-dioxo-N-(4-propan-2-ylphenyl)-1,3-diazinane-5-carboxamide (CID 78450900) is 1-(4-fluorophenyl)-2,6-dioxo-N-(4-propan-2-ylphenyl)-1,3-diazinane-5-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-2,6-dioxo-N-(4-propan-2-ylphenyl)-1,3-diazinane-5-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-2,6-dioxo-N-(4-propan-2-ylphenyl)-1,3-diazinane-5-carboxamide is CC(C)c1ccc(NC(=O)C2CNC(=O)N(c3ccc(F)cc3)C2=O)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2,6-dioxo-N-(4-propan-2-ylphenyl)-1,3-diazinane-5-carboxamide?
The InChIKey is QBRXFBQUEFSNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-12(2)13-3-7-15(8-4-13)23-18(25)17-11-22-20(27)24(19(17)26)16-9-5-14(21)6-10-16/h3-10,12,17H,11H2,1-2H3,(H,22,27)(H,23,25).
What are the key properties of 1-(4-fluorophenyl)-2,6-dioxo-N-(4-propan-2-ylphenyl)-1,3-diazinane-5-carboxamide?
1-(4-fluorophenyl)-2,6-dioxo-N-(4-propan-2-ylphenyl)-1,3-diazinane-5-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2,6-dioxo-N-(4-propan-2-ylphenyl)-1,3-diazinane-5-carboxamide is sourced from PubChem (CID 78450900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).