2-(5-fluoro-2-methoxyphenyl)-N',N',2-trimethylpropanehydrazide

C13H19FN2O2 — CID 116848201

IUPAC2-(5-fluoro-2-methoxyphenyl)-N',N',2-trimethylpropanehydrazide
SMILESCOc1ccc(F)cc1C(C)(C)C(=O)NN(C)C
InChIInChI=1S/C13H19FN2O2/c1-13(2,12(17)15-16(3)4)10-8-9(14)6-7-11(10)18-5/h6-8H,1-5H3,(H,15,17)
InChIKeyGPAXHWHOEVZCPP-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.70
Rot. Bonds4

About 2-(5-fluoro-2-methoxyphenyl)-N',N',2-trimethylpropanehydrazide

2-(5-fluoro-2-methoxyphenyl)-N',N',2-trimethylpropanehydrazide (PubChem CID 116848201) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-(5-fluoro-2-methoxyphenyl)-N',N',2-trimethylpropanehydrazide.

Molecular Properties

Compound Name2-(5-fluoro-2-methoxyphenyl)-N',N',2-trimethylpropanehydrazide
PubChem CID116848201
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name2-(5-fluoro-2-methoxyphenyl)-N',N',2-trimethylpropanehydrazide
SMILESCOc1ccc(F)cc1C(C)(C)C(=O)NN(C)C
InChIInChI=1S/C13H19FN2O2/c1-13(2,12(17)15-16(3)4)10-8-9(14)6-7-11(10)18-5/h6-8H,1-5H3,(H,15,17)
InChIKeyGPAXHWHOEVZCPP-UHFFFAOYSA-N
XLogP1.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-one
CID 69352095
3-cyano-3-(5-fluoro-2-methoxyphenyl)butanoic acid
CID 146308166
2-(5-fluoro-2-methoxyphenyl)-2-hydrazinylpropanoic acid
CID 82128315
methyl (3R)-5-(5-fluoro-2-methoxyphenyl)-3-hydroxy-5-methyl-3-(trifluoromethyl)hexanoate
CID 23584372
methyl 5-(5-fluoro-2-methoxyphenyl)-3-hydroxy-5-methyl-3-(trifluoromethyl)hexanoate
CID 71210621
5-(5-fluoro-2-methoxyphenyl)-5-methylhexan-2-one
CID 142814279
methyl 2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoate
CID 115128471
4-amino-3-(5-fluoro-2-methoxyphenyl)-3-methylbutanoic acid;hydrochloride
CID 146308272
N-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropyl]-2-oxopropanamide
CID 115176113
(2S)-2-(5-fluoro-2-methoxyphenyl)butan-2-ol
CID 97294141
N-(3,4-difluorophenyl)-2-(2-methoxyphenyl)-2-methylpropanamide
CID 110438888
2-(3-tert-butyl-4-methoxyphenyl)-N',N'-dimethylacetohydrazide
CID 116847423

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-N',N',2-trimethylpropanehydrazide?
The IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-N',N',2-trimethylpropanehydrazide (CID 116848201) is 2-(5-fluoro-2-methoxyphenyl)-N',N',2-trimethylpropanehydrazide.
What is the SMILES notation for 2-(5-fluoro-2-methoxyphenyl)-N',N',2-trimethylpropanehydrazide?
The canonical SMILES for 2-(5-fluoro-2-methoxyphenyl)-N',N',2-trimethylpropanehydrazide is COc1ccc(F)cc1C(C)(C)C(=O)NN(C)C.
What is the InChIKey of 2-(5-fluoro-2-methoxyphenyl)-N',N',2-trimethylpropanehydrazide?
The InChIKey is GPAXHWHOEVZCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-13(2,12(17)15-16(3)4)10-8-9(14)6-7-11(10)18-5/h6-8H,1-5H3,(H,15,17).
What are the key properties of 2-(5-fluoro-2-methoxyphenyl)-N',N',2-trimethylpropanehydrazide?
2-(5-fluoro-2-methoxyphenyl)-N',N',2-trimethylpropanehydrazide has a molecular weight of 254.30 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methoxyphenyl)-N',N',2-trimethylpropanehydrazide is sourced from PubChem (CID 116848201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).