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

C19H16FN3O4 — CID 78444214

IUPACN-(3-acetylphenyl)-1-(4-fluorophenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CNC(=O)N(c3ccc(F)cc3)C2=O)c1
InChIInChI=1S/C19H16FN3O4/c1-11(24)12-3-2-4-14(9-12)22-17(25)16-10-21-19(27)23(18(16)26)15-7-5-13(20)6-8-15/h2-9,16H,10H2,1H3,(H,21,27)(H,22,25)
InChIKeyOTNNJEUNXMAQBK-UHFFFAOYSA-N
MW369.35 g/mol
LogP2.34
Rot. Bonds4

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

N-(3-acetylphenyl)-1-(4-fluorophenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide (PubChem CID 78444214) has the molecular formula C19H16FN3O4 and a molecular weight of 369.35 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1-(4-fluorophenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-1-(4-fluorophenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
PubChem CID78444214
Molecular FormulaC19H16FN3O4
Molecular Weight369.35 g/mol
Exact Mass369.11
IUPAC NameN-(3-acetylphenyl)-1-(4-fluorophenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CNC(=O)N(c3ccc(F)cc3)C2=O)c1
InChIInChI=1S/C19H16FN3O4/c1-11(24)12-3-2-4-14(9-12)22-17(25)16-10-21-19(27)23(18(16)26)15-7-5-13(20)6-8-15/h2-9,16H,10H2,1H3,(H,21,27)(H,22,25)
InChIKeyOTNNJEUNXMAQBK-UHFFFAOYSA-N
XLogP2.34
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 52.34
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-[3-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide
CID 78444206
1-(4-fluorophenyl)-2,6-dioxo-N-(4-propan-2-ylphenyl)-1,3-diazinane-5-carboxamide
CID 78450900
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-(3-acetylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373964
(3R)-N-(3-acetylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 7279210
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)-N-(3-fluoro-4-methylphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78450947
N-(2,4-difluorophenyl)-1-(4-ethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78348162
N-(4-chlorophenyl)-1-(3-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78348288
N-(3-fluorophenyl)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 46159323

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-1-(4-fluorophenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-1-(4-fluorophenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide (CID 78444214) is N-(3-acetylphenyl)-1-(4-fluorophenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-1-(4-fluorophenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-1-(4-fluorophenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide is CC(=O)c1cccc(NC(=O)C2CNC(=O)N(c3ccc(F)cc3)C2=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-1-(4-fluorophenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide?
The InChIKey is OTNNJEUNXMAQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O4/c1-11(24)12-3-2-4-14(9-12)22-17(25)16-10-21-19(27)23(18(16)26)15-7-5-13(20)6-8-15/h2-9,16H,10H2,1H3,(H,21,27)(H,22,25).
What are the key properties of N-(3-acetylphenyl)-1-(4-fluorophenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide?
N-(3-acetylphenyl)-1-(4-fluorophenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide has a molecular weight of 369.35 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-1-(4-fluorophenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide is sourced from PubChem (CID 78444214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).