1,3-dimethyl-2,4,6-trioxo-N-[4-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide

C14H12F3N3O4 — CID 70595319

IUPAC1,3-dimethyl-2,4,6-trioxo-N-[4-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide
SMILESCN1C(=O)C(C(=O)Nc2ccc(C(F)(F)F)cc2)C(=O)N(C)C1=O
InChIInChI=1S/C14H12F3N3O4/c1-19-11(22)9(12(23)20(2)13(19)24)10(21)18-8-5-3-7(4-6-8)14(15,16)17/h3-6,9H,1-2H3,(H,18,21)
InChIKeyBRNNYZUVGZGERL-UHFFFAOYSA-N
MW343.26 g/mol
LogP1.31
Rot. Bonds2

About 1,3-dimethyl-2,4,6-trioxo-N-[4-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide

1,3-dimethyl-2,4,6-trioxo-N-[4-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide (PubChem CID 70595319) has the molecular formula C14H12F3N3O4 and a molecular weight of 343.26 g/mol. Its IUPAC name is 1,3-dimethyl-2,4,6-trioxo-N-[4-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-2,4,6-trioxo-N-[4-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide
PubChem CID70595319
Molecular FormulaC14H12F3N3O4
Molecular Weight343.26 g/mol
Exact Mass343.08
IUPAC Name1,3-dimethyl-2,4,6-trioxo-N-[4-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide
SMILESCN1C(=O)C(C(=O)Nc2ccc(C(F)(F)F)cc2)C(=O)N(C)C1=O
InChIInChI=1S/C14H12F3N3O4/c1-19-11(22)9(12(23)20(2)13(19)24)10(21)18-8-5-3-7(4-6-8)14(15,16)17/h3-6,9H,1-2H3,(H,18,21)
InChIKeyBRNNYZUVGZGERL-UHFFFAOYSA-N
XLogP1.31
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 51.31
H-Bond Donors ≤ 51
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-dimethyl-2,4,6-trioxo-N-[4-(trifluoromethylsulfanyl)phenyl]-1,3-diazinane-5-carboxamide
CID 98096482
4-hydroxy-1-methyl-2,5-dioxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 139526306
N-(4-methoxyphenyl)-1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide
CID 134138570
7-fluoro-4-methyl-3-oxo-N-[4-(trifluoromethyl)phenyl]-1,4-benzothiazine-2-carboxamide
CID 56629241
1-methyl-N-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide
CID 110860923
molecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide
CID 175275825
(3S,4S)-4-(3,5-difluorophenyl)-1-methyl-2-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 134411892
N-methyl-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 44998962
1-N-propan-2-yl-2-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109130758
potassium [4-(trifluoromethyl)phenyl]carbamoylazanide
CID 143489977
1-propanoyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 113007799
2-methyl-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 79383303

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,4,6-trioxo-N-[4-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide?
The IUPAC name of 1,3-dimethyl-2,4,6-trioxo-N-[4-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide (CID 70595319) is 1,3-dimethyl-2,4,6-trioxo-N-[4-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide.
What is the SMILES notation for 1,3-dimethyl-2,4,6-trioxo-N-[4-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide?
The canonical SMILES for 1,3-dimethyl-2,4,6-trioxo-N-[4-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide is CN1C(=O)C(C(=O)Nc2ccc(C(F)(F)F)cc2)C(=O)N(C)C1=O.
What is the InChIKey of 1,3-dimethyl-2,4,6-trioxo-N-[4-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide?
The InChIKey is BRNNYZUVGZGERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O4/c1-19-11(22)9(12(23)20(2)13(19)24)10(21)18-8-5-3-7(4-6-8)14(15,16)17/h3-6,9H,1-2H3,(H,18,21).
What are the key properties of 1,3-dimethyl-2,4,6-trioxo-N-[4-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide?
1,3-dimethyl-2,4,6-trioxo-N-[4-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide has a molecular weight of 343.26 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,4,6-trioxo-N-[4-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide is sourced from PubChem (CID 70595319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).