2-amino-3-(5-fluoro-2-methoxyphenyl)propanehydrazide

C10H14FN3O2 — CID 116848579

IUPAC2-amino-3-(5-fluoro-2-methoxyphenyl)propanehydrazide
SMILESCOc1ccc(F)cc1CC(N)C(=O)NN
InChIInChI=1S/C10H14FN3O2/c1-16-9-3-2-7(11)4-6(9)5-8(12)10(15)14-13/h2-4,8H,5,12-13H2,1H3,(H,14,15)
InChIKeyPHIOOHNWZCJQKI-UHFFFAOYSA-N
MW227.24 g/mol
LogP-0.31
Rot. Bonds4

About 2-amino-3-(5-fluoro-2-methoxyphenyl)propanehydrazide

2-amino-3-(5-fluoro-2-methoxyphenyl)propanehydrazide (PubChem CID 116848579) has the molecular formula C10H14FN3O2 and a molecular weight of 227.24 g/mol. Its IUPAC name is 2-amino-3-(5-fluoro-2-methoxyphenyl)propanehydrazide.

Molecular Properties

Compound Name2-amino-3-(5-fluoro-2-methoxyphenyl)propanehydrazide
PubChem CID116848579
Molecular FormulaC10H14FN3O2
Molecular Weight227.24 g/mol
Exact Mass227.11
IUPAC Name2-amino-3-(5-fluoro-2-methoxyphenyl)propanehydrazide
SMILESCOc1ccc(F)cc1CC(N)C(=O)NN
InChIInChI=1S/C10H14FN3O2/c1-16-9-3-2-7(11)4-6(9)5-8(12)10(15)14-13/h2-4,8H,5,12-13H2,1H3,(H,14,15)
InChIKeyPHIOOHNWZCJQKI-UHFFFAOYSA-N
XLogP-0.31
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

Analyze 2-amino-3-(5-fluoro-2-methoxyphenyl)propanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3-(5-(18F)fluoro-2-methoxyphenyl)propanoic acid
CID 146168544
2-amino-3-(2,4,5-trimethoxyphenyl)propanehydrazide
CID 116848669
2-amino-3-(2,5-dimethoxy-3,4-dimethylphenyl)propanehydrazide
CID 116848706
methyl (2S)-2-amino-3-(2-methoxyphenyl)propanoate
CID 10703616
2-amino-3-(5-chloro-4-methoxy-2-methylphenyl)propanehydrazide
CID 116848615
methyl (2S)-2-amino-3-(2,3-difluoro-4-methoxyphenyl)propanoate
CID 171238466
ethyl 2-amino-3-(4-fluoro-2-methoxyphenyl)propanoate
CID 170885221
2-amino-3-(2-methoxy-5-propan-2-ylphenyl)-N'-methylpropanehydrazide
CID 116849515
1-(5-fluoro-2-methoxyphenyl)-N-methylpropan-2-amine
CID 84733466
2-amino-3-[5-fluoro-2-(trifluoromethoxy)phenyl]propanoic acid
CID 146676073
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194745
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110780208

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5-fluoro-2-methoxyphenyl)propanehydrazide?
The IUPAC name of 2-amino-3-(5-fluoro-2-methoxyphenyl)propanehydrazide (CID 116848579) is 2-amino-3-(5-fluoro-2-methoxyphenyl)propanehydrazide.
What is the SMILES notation for 2-amino-3-(5-fluoro-2-methoxyphenyl)propanehydrazide?
The canonical SMILES for 2-amino-3-(5-fluoro-2-methoxyphenyl)propanehydrazide is COc1ccc(F)cc1CC(N)C(=O)NN.
What is the InChIKey of 2-amino-3-(5-fluoro-2-methoxyphenyl)propanehydrazide?
The InChIKey is PHIOOHNWZCJQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O2/c1-16-9-3-2-7(11)4-6(9)5-8(12)10(15)14-13/h2-4,8H,5,12-13H2,1H3,(H,14,15).
What are the key properties of 2-amino-3-(5-fluoro-2-methoxyphenyl)propanehydrazide?
2-amino-3-(5-fluoro-2-methoxyphenyl)propanehydrazide has a molecular weight of 227.24 g/mol, XLogP of -0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-fluoro-2-methoxyphenyl)propanehydrazide is sourced from PubChem (CID 116848579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).