N'-(4-fluorophenyl)-2-(methylamino)acetohydrazide;hydrochloride

C9H13ClFN3O — CID 130686411

IUPACN'-(4-fluorophenyl)-2-(methylamino)acetohydrazide;hydrochloride
SMILESCNCC(=O)NNc1ccc(F)cc1.Cl
InChIInChI=1S/C9H12FN3O.ClH/c1-11-6-9(14)13-12-8-4-2-7(10)3-5-8;/h2-5,11-12H,6H2,1H3,(H,13,14);1H
InChIKeyBDXGMTVVDSVCMF-UHFFFAOYSA-N
MW233.67 g/mol
LogP0.91
Rot. Bonds4

About N'-(4-fluorophenyl)-2-(methylamino)acetohydrazide;hydrochloride

N'-(4-fluorophenyl)-2-(methylamino)acetohydrazide;hydrochloride (PubChem CID 130686411) has the molecular formula C9H13ClFN3O and a molecular weight of 233.67 g/mol. Its IUPAC name is N'-(4-fluorophenyl)-2-(methylamino)acetohydrazide;hydrochloride.

Molecular Properties

Compound NameN'-(4-fluorophenyl)-2-(methylamino)acetohydrazide;hydrochloride
PubChem CID130686411
Molecular FormulaC9H13ClFN3O
Molecular Weight233.67 g/mol
Exact Mass233.07
IUPAC NameN'-(4-fluorophenyl)-2-(methylamino)acetohydrazide;hydrochloride
SMILESCNCC(=O)NNc1ccc(F)cc1.Cl
InChIInChI=1S/C9H12FN3O.ClH/c1-11-6-9(14)13-12-8-4-2-7(10)3-5-8;/h2-5,11-12H,6H2,1H3,(H,13,14);1H
InChIKeyBDXGMTVVDSVCMF-UHFFFAOYSA-N
XLogP0.91
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.67
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-[2-(4-fluorophenyl)hydrazinyl]-3-oxopropyl] acetate
CID 150065658
2-fluoro-N'-(4-methylphenyl)acetohydrazide
CID 23176925
2-(4-fluorophenyl)-N'-phenylacetohydrazide
CID 78774551
1-(4-fluoroanilino)-3-(4-fluorophenyl)urea
CID 27165314
N-(3,5-difluorophenyl)-2-(methylamino)acetamide;hydrochloride
CID 50988525
N'-(4-fluorophenyl)hept-6-ynehydrazide
CID 126805755
N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(methylamino)acetamide
CID 61260109
2-ethyl-N'-(4-fluorophenyl)but-2-enehydrazide
CID 136535352
2-(4-fluoroanilino)-N'-(2-methylcyclohexen-1-yl)acetohydrazide
CID 4621880
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119731211
N-[1-(4-fluorophenyl)cyclopropyl]-2-(methylamino)acetamide
CID 110460355
1-(4-fluorophenyl)-3-(methylamino)propan-2-one
CID 83636230

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)-2-(methylamino)acetohydrazide;hydrochloride?
The IUPAC name of N'-(4-fluorophenyl)-2-(methylamino)acetohydrazide;hydrochloride (CID 130686411) is N'-(4-fluorophenyl)-2-(methylamino)acetohydrazide;hydrochloride.
What is the SMILES notation for N'-(4-fluorophenyl)-2-(methylamino)acetohydrazide;hydrochloride?
The canonical SMILES for N'-(4-fluorophenyl)-2-(methylamino)acetohydrazide;hydrochloride is CNCC(=O)NNc1ccc(F)cc1.Cl.
What is the InChIKey of N'-(4-fluorophenyl)-2-(methylamino)acetohydrazide;hydrochloride?
The InChIKey is BDXGMTVVDSVCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O.ClH/c1-11-6-9(14)13-12-8-4-2-7(10)3-5-8;/h2-5,11-12H,6H2,1H3,(H,13,14);1H.
What are the key properties of N'-(4-fluorophenyl)-2-(methylamino)acetohydrazide;hydrochloride?
N'-(4-fluorophenyl)-2-(methylamino)acetohydrazide;hydrochloride has a molecular weight of 233.67 g/mol, XLogP of 0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)-2-(methylamino)acetohydrazide;hydrochloride is sourced from PubChem (CID 130686411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).