hydrazinyl 3-(2-fluoro-N-methylanilino)propanoate

C10H14FN3O2 — CID 66336754

IUPAChydrazinyl 3-(2-fluoro-N-methylanilino)propanoate
SMILESCN(CCC(=O)ONN)c1ccccc1F
InChIInChI=1S/C10H14FN3O2/c1-14(7-6-10(15)16-13-12)9-5-3-2-4-8(9)11/h2-5,13H,6-7,12H2,1H3
InChIKeyWVWLPPPMJYZONF-UHFFFAOYSA-N
MW227.24 g/mol
LogP0.57
Rot. Bonds5

About hydrazinyl 3-(2-fluoro-N-methylanilino)propanoate

hydrazinyl 3-(2-fluoro-N-methylanilino)propanoate (PubChem CID 66336754) has the molecular formula C10H14FN3O2 and a molecular weight of 227.24 g/mol. Its IUPAC name is hydrazinyl 3-(2-fluoro-N-methylanilino)propanoate.

Molecular Properties

Compound Namehydrazinyl 3-(2-fluoro-N-methylanilino)propanoate
PubChem CID66336754
Molecular FormulaC10H14FN3O2
Molecular Weight227.24 g/mol
Exact Mass227.11
IUPAC Namehydrazinyl 3-(2-fluoro-N-methylanilino)propanoate
SMILESCN(CCC(=O)ONN)c1ccccc1F
InChIInChI=1S/C10H14FN3O2/c1-14(7-6-10(15)16-13-12)9-5-3-2-4-8(9)11/h2-5,13H,6-7,12H2,1H3
InChIKeyWVWLPPPMJYZONF-UHFFFAOYSA-N
XLogP0.57
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

hydrazinyl 3-[1-(2-fluorophenyl)ethyl-methylamino]propanoate
CID 66338215
1-(2-chlorophenyl)-3-(2-fluoro-N-methylanilino)propan-1-one
CID 62644011
2-fluoro-N-methyl-N-propylaniline
CID 67818828
2-(2-fluoro-N-methylanilino)-N-hydroxyacetamide
CID 130405686
ethyl 4-(2-fluoro-N-methylanilino)-2-(propylamino)butanoate
CID 63053989
4-amino-N-[3-(2-fluoro-N-methylanilino)propyl]pentanamide
CID 120564944
hydrazinyl 3-(N-ethyl-3-fluoroanilino)propanoate
CID 66337492
2-[(2-fluoro-N-methylanilino)methyl]benzohydrazide
CID 63585311
hydrazinyl 3-[furan-2-ylmethyl(methyl)amino]propanoate
CID 66338395
3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]-2-methylbutanamide;dihydrochloride
CID 120503280
ethyl 3-(2-ethylsulfonyl-N-methylanilino)propanoate
CID 62007156
methyl 3-(2-tert-butyl-N-methylanilino)propanoate
CID 117029464

Frequently Asked Questions

What is the IUPAC name of hydrazinyl 3-(2-fluoro-N-methylanilino)propanoate?
The IUPAC name of hydrazinyl 3-(2-fluoro-N-methylanilino)propanoate (CID 66336754) is hydrazinyl 3-(2-fluoro-N-methylanilino)propanoate.
What is the SMILES notation for hydrazinyl 3-(2-fluoro-N-methylanilino)propanoate?
The canonical SMILES for hydrazinyl 3-(2-fluoro-N-methylanilino)propanoate is CN(CCC(=O)ONN)c1ccccc1F.
What is the InChIKey of hydrazinyl 3-(2-fluoro-N-methylanilino)propanoate?
The InChIKey is WVWLPPPMJYZONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O2/c1-14(7-6-10(15)16-13-12)9-5-3-2-4-8(9)11/h2-5,13H,6-7,12H2,1H3.
What are the key properties of hydrazinyl 3-(2-fluoro-N-methylanilino)propanoate?
hydrazinyl 3-(2-fluoro-N-methylanilino)propanoate has a molecular weight of 227.24 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-(2-fluoro-N-methylanilino)propanoate is sourced from PubChem (CID 66336754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).