N'-[dideuterio-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-N-methylcyclopropanecarbohydrazide

C13H14F4N2O — CID 171822920

IUPACN'-[dideuterio-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-N-methylcyclopropanecarbohydrazide
SMILES[2H]C([2H])(NN(C)C(=O)C1CC1)c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C13H14F4N2O/c1-19(12(20)8-2-3-8)18-7-9-4-5-10(6-11(9)14)13(15,16)17/h4-6,8,18H,2-3,7H2,1H3/i7D2
InChIKeyOPROEVPPLIWHLK-RJSZUWSASA-N
MW292.27 g/mol
LogP2.72
Rot. Bonds4

About N'-[dideuterio-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-N-methylcyclopropanecarbohydrazide

N'-[dideuterio-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-N-methylcyclopropanecarbohydrazide (PubChem CID 171822920) has the molecular formula C13H14F4N2O and a molecular weight of 292.27 g/mol. Its IUPAC name is N'-[dideuterio-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-N-methylcyclopropanecarbohydrazide.

Molecular Properties

Compound NameN'-[dideuterio-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-N-methylcyclopropanecarbohydrazide
PubChem CID171822920
Molecular FormulaC13H14F4N2O
Molecular Weight292.27 g/mol
Exact Mass292.12
IUPAC NameN'-[dideuterio-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-N-methylcyclopropanecarbohydrazide
SMILES[2H]C([2H])(NN(C)C(=O)C1CC1)c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C13H14F4N2O/c1-19(12(20)8-2-3-8)18-7-9-4-5-10(6-11(9)14)13(15,16)17/h4-6,8,18H,2-3,7H2,1H3/i7D2
InChIKeyOPROEVPPLIWHLK-RJSZUWSASA-N
XLogP2.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-fluoro-4-(trifluoromethyl)phenyl]acetyl] cyclopropanecarboxylate
CID 175237979
N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 143615163
N'-[dihydroxy-[5-(trifluoromethyl)-2-pyridinyl]methyl]-N-methylcyclopropanecarbohydrazide
CID 171822903
N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylcyclopropanecarboxamide
CID 110604257
1-[2-(azepan-1-yl)ethyl]-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methylurea;formic acid
CID 154904433
N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-hydroxyazetidine-1-carboxamide
CID 119072217
3-[2-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropanoic acid
CID 117414551
cyclobutyl-[2-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 175669824
N-[[2-fluoro-4-(trifluoromethyl)phenyl]methylamino]-N-methylformamide;oxetane
CID 171823598
N-methyl-N'-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropanecarbohydrazide
CID 171823618
4-[[2-fluoro-5-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carboxylic acid
CID 120509624
3-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidine-1,3-dicarboxamide
CID 70731830

Frequently Asked Questions

What is the IUPAC name of N'-[dideuterio-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-N-methylcyclopropanecarbohydrazide?
The IUPAC name of N'-[dideuterio-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-N-methylcyclopropanecarbohydrazide (CID 171822920) is N'-[dideuterio-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-N-methylcyclopropanecarbohydrazide.
What is the SMILES notation for N'-[dideuterio-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-N-methylcyclopropanecarbohydrazide?
The canonical SMILES for N'-[dideuterio-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-N-methylcyclopropanecarbohydrazide is [2H]C([2H])(NN(C)C(=O)C1CC1)c1ccc(C(F)(F)F)cc1F.
What is the InChIKey of N'-[dideuterio-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-N-methylcyclopropanecarbohydrazide?
The InChIKey is OPROEVPPLIWHLK-RJSZUWSASA-N. The full InChI is InChI=1S/C13H14F4N2O/c1-19(12(20)8-2-3-8)18-7-9-4-5-10(6-11(9)14)13(15,16)17/h4-6,8,18H,2-3,7H2,1H3/i7D2.
What are the key properties of N'-[dideuterio-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-N-methylcyclopropanecarbohydrazide?
N'-[dideuterio-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-N-methylcyclopropanecarbohydrazide has a molecular weight of 292.27 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[dideuterio-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-N-methylcyclopropanecarbohydrazide is sourced from PubChem (CID 171822920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).