1-(3-chloro-4-fluorophenyl)-N-(3-fluoro-4-methylphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide

C18H14ClF2N3O3 — CID 78450947

IUPAC1-(3-chloro-4-fluorophenyl)-N-(3-fluoro-4-methylphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
SMILESCc1ccc(NC(=O)C2CNC(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc1F
InChIInChI=1S/C18H14ClF2N3O3/c1-9-2-3-10(6-15(9)21)23-16(25)12-8-22-18(27)24(17(12)26)11-4-5-14(20)13(19)7-11/h2-7,12H,8H2,1H3,(H,22,27)(H,23,25)
InChIKeyACNKWJFMPSEDJX-UHFFFAOYSA-N
MW393.78 g/mol
LogP3.24
Rot. Bonds3

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

1-(3-chloro-4-fluorophenyl)-N-(3-fluoro-4-methylphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide (PubChem CID 78450947) has the molecular formula C18H14ClF2N3O3 and a molecular weight of 393.78 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N-(3-fluoro-4-methylphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N-(3-fluoro-4-methylphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
PubChem CID78450947
Molecular FormulaC18H14ClF2N3O3
Molecular Weight393.78 g/mol
Exact Mass393.07
IUPAC Name1-(3-chloro-4-fluorophenyl)-N-(3-fluoro-4-methylphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
SMILESCc1ccc(NC(=O)C2CNC(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc1F
InChIInChI=1S/C18H14ClF2N3O3/c1-9-2-3-10(6-15(9)21)23-16(25)12-8-22-18(27)24(17(12)26)11-4-5-14(20)13(19)7-11/h2-7,12H,8H2,1H3,(H,22,27)(H,23,25)
InChIKeyACNKWJFMPSEDJX-UHFFFAOYSA-N
XLogP3.24
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.78
LogP ≤ 53.24
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-(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
N-(4-chlorophenyl)-1-(3-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78348288
N-(4-fluoro-3-nitrophenyl)-1-(4-methylphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78450781
1-(3,4-dimethylphenyl)-N-(4-nitrophenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78450804
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-(2,5-dichlorophenyl)-1-(4-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78450787
N-(3-chloro-4-fluorophenyl)-5-(3-fluoro-4-methylanilino)triazolidine-4-carboxamide
CID 75118727
(3S)-1-(3-chloro-4-methylphenyl)-N-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 93330510
1-(3-methoxyphenyl)-N-(4-methyl-3-nitrophenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78450797
(3R)-N-(3-fluoro-4-methylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124528944

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-(3-fluoro-4-methylphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-(3-fluoro-4-methylphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide (CID 78450947) is 1-(3-chloro-4-fluorophenyl)-N-(3-fluoro-4-methylphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N-(3-fluoro-4-methylphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N-(3-fluoro-4-methylphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide is Cc1ccc(NC(=O)C2CNC(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc1F.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N-(3-fluoro-4-methylphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide?
The InChIKey is ACNKWJFMPSEDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF2N3O3/c1-9-2-3-10(6-15(9)21)23-16(25)12-8-22-18(27)24(17(12)26)11-4-5-14(20)13(19)7-11/h2-7,12H,8H2,1H3,(H,22,27)(H,23,25).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N-(3-fluoro-4-methylphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide?
1-(3-chloro-4-fluorophenyl)-N-(3-fluoro-4-methylphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide has a molecular weight of 393.78 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-N-(3-fluoro-4-methylphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide is sourced from PubChem (CID 78450947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).