2-amino-2-(4-fluorophenyl)-N-methylacetohydrazide

C9H12FN3O — CID 116848885

IUPAC2-amino-2-(4-fluorophenyl)-N-methylacetohydrazide
SMILESCN(N)C(=O)C(N)c1ccc(F)cc1
InChIInChI=1S/C9H12FN3O/c1-13(12)9(14)8(11)6-2-4-7(10)5-3-6/h2-5,8H,11-12H2,1H3
InChIKeyGUQMUKLXUQHSKT-UHFFFAOYSA-N
MW197.21 g/mol
LogP0.16
Rot. Bonds2

About 2-amino-2-(4-fluorophenyl)-N-methylacetohydrazide

2-amino-2-(4-fluorophenyl)-N-methylacetohydrazide (PubChem CID 116848885) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is 2-amino-2-(4-fluorophenyl)-N-methylacetohydrazide.

Molecular Properties

Compound Name2-amino-2-(4-fluorophenyl)-N-methylacetohydrazide
PubChem CID116848885
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name2-amino-2-(4-fluorophenyl)-N-methylacetohydrazide
SMILESCN(N)C(=O)C(N)c1ccc(F)cc1
InChIInChI=1S/C9H12FN3O/c1-13(12)9(14)8(11)6-2-4-7(10)5-3-6/h2-5,8H,11-12H2,1H3
InChIKeyGUQMUKLXUQHSKT-UHFFFAOYSA-N
XLogP0.16
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-(4-chlorophenyl)-N-methylacetohydrazide
CID 116848886
2-amino-N-(4-fluorophenyl)-N-methyl-2-(4-methylphenyl)acetamide
CID 106151346
2-amino-2-(2,5-difluorophenyl)-N-methylacetohydrazide
CID 116848922
(2R)-2-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 119275395
2-amino-2-[4-(4-fluorophenyl)phenyl]acetic acid
CID 77129028
tert-butyl (2S)-2-amino-2-(4-fluorophenyl)acetate
CID 151116250
2-amino-N,N-dimethyl-2-(4-methylsulfanylphenyl)acetamide
CID 116850141
2-amino-N-methyl-2-(2-oxo-3H-1,3-benzoxazol-6-yl)acetohydrazide
CID 116848980
3-amino-N-ethyl-2-(4-fluorophenyl)-N-methylpropanamide;hydrochloride
CID 120630206
(2S)-2-amino-N,N-dimethyl-2-phenylacetamide
CID 11263835
(2S)-2-amino-2-(4-tert-butylphenyl)-N,N-dimethylacetamide
CID 95180326
(2R)-2-amino-2-(4-fluorophenyl)ethanethioamide
CID 95241231

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-fluorophenyl)-N-methylacetohydrazide?
The IUPAC name of 2-amino-2-(4-fluorophenyl)-N-methylacetohydrazide (CID 116848885) is 2-amino-2-(4-fluorophenyl)-N-methylacetohydrazide.
What is the SMILES notation for 2-amino-2-(4-fluorophenyl)-N-methylacetohydrazide?
The canonical SMILES for 2-amino-2-(4-fluorophenyl)-N-methylacetohydrazide is CN(N)C(=O)C(N)c1ccc(F)cc1.
What is the InChIKey of 2-amino-2-(4-fluorophenyl)-N-methylacetohydrazide?
The InChIKey is GUQMUKLXUQHSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O/c1-13(12)9(14)8(11)6-2-4-7(10)5-3-6/h2-5,8H,11-12H2,1H3.
What are the key properties of 2-amino-2-(4-fluorophenyl)-N-methylacetohydrazide?
2-amino-2-(4-fluorophenyl)-N-methylacetohydrazide has a molecular weight of 197.21 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-fluorophenyl)-N-methylacetohydrazide is sourced from PubChem (CID 116848885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).