N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(trifluoromethyl)benzohydrazide

C14H13F3N4O3 — CID 43935386

IUPACN'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(trifluoromethyl)benzohydrazide
SMILESCn1c(NNC(=O)c2ccccc2C(F)(F)F)cc(=O)n(C)c1=O
InChIInChI=1S/C14H13F3N4O3/c1-20-10(7-11(22)21(2)13(20)24)18-19-12(23)8-5-3-4-6-9(8)14(15,16)17/h3-7,18H,1-2H3,(H,19,23)
InChIKeyHGGBRAORONNTLY-UHFFFAOYSA-N
MW342.28 g/mol
LogP0.86
Rot. Bonds3

About N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(trifluoromethyl)benzohydrazide

N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(trifluoromethyl)benzohydrazide (PubChem CID 43935386) has the molecular formula C14H13F3N4O3 and a molecular weight of 342.28 g/mol. Its IUPAC name is N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound NameN'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(trifluoromethyl)benzohydrazide
PubChem CID43935386
Molecular FormulaC14H13F3N4O3
Molecular Weight342.28 g/mol
Exact Mass342.09
IUPAC NameN'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(trifluoromethyl)benzohydrazide
SMILESCn1c(NNC(=O)c2ccccc2C(F)(F)F)cc(=O)n(C)c1=O
InChIInChI=1S/C14H13F3N4O3/c1-20-10(7-11(22)21(2)13(20)24)18-19-12(23)8-5-3-4-6-9(8)14(15,16)17/h3-7,18H,1-2H3,(H,19,23)
InChIKeyHGGBRAORONNTLY-UHFFFAOYSA-N
XLogP0.86
TPSA85.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-ethoxybenzohydrazide
CID 2145310
N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbenzohydrazide
CID 2145329
3-bromo-N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzohydrazide
CID 43935375
N-methyl-2-(trifluoromethyl)benzamide
CID 4216112
N'-pyridin-2-yl-2-(trifluoromethyl)benzohydrazide
CID 175943084
2-(trifluoromethyl)-N-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)benzamide
CID 102165595
N'-(2-pyrrol-1-ylbenzoyl)-2-(trifluoromethyl)benzohydrazide
CID 4807808
N'-(3-methylbutanoyl)-2-(trifluoromethyl)benzohydrazide
CID 39951306
N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(trifluoromethyl)benzamide
CID 50824372
N-(4-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 28739363
N-(2-oxopropyl)-2-(trifluoromethyl)benzamide
CID 64997392
N-[(2R)-pentan-2-yl]-2-(trifluoromethyl)benzamide
CID 92850424

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(trifluoromethyl)benzohydrazide?
The IUPAC name of N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(trifluoromethyl)benzohydrazide (CID 43935386) is N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(trifluoromethyl)benzohydrazide.
What is the SMILES notation for N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(trifluoromethyl)benzohydrazide?
The canonical SMILES for N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(trifluoromethyl)benzohydrazide is Cn1c(NNC(=O)c2ccccc2C(F)(F)F)cc(=O)n(C)c1=O.
What is the InChIKey of N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(trifluoromethyl)benzohydrazide?
The InChIKey is HGGBRAORONNTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O3/c1-20-10(7-11(22)21(2)13(20)24)18-19-12(23)8-5-3-4-6-9(8)14(15,16)17/h3-7,18H,1-2H3,(H,19,23).
What are the key properties of N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(trifluoromethyl)benzohydrazide?
N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(trifluoromethyl)benzohydrazide has a molecular weight of 342.28 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 43935386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).