hydrazinyl 3-(N-ethyl-3-fluoroanilino)propanoate

C11H16FN3O2 — CID 66337492

IUPAChydrazinyl 3-(N-ethyl-3-fluoroanilino)propanoate
SMILESCCN(CCC(=O)ONN)c1cccc(F)c1
InChIInChI=1S/C11H16FN3O2/c1-2-15(7-6-11(16)17-14-13)10-5-3-4-9(12)8-10/h3-5,8,14H,2,6-7,13H2,1H3
InChIKeyUFOZQUPXCGSZJP-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.96
Rot. Bonds6

About hydrazinyl 3-(N-ethyl-3-fluoroanilino)propanoate

hydrazinyl 3-(N-ethyl-3-fluoroanilino)propanoate (PubChem CID 66337492) has the molecular formula C11H16FN3O2 and a molecular weight of 241.27 g/mol. Its IUPAC name is hydrazinyl 3-(N-ethyl-3-fluoroanilino)propanoate.

Molecular Properties

Compound Namehydrazinyl 3-(N-ethyl-3-fluoroanilino)propanoate
PubChem CID66337492
Molecular FormulaC11H16FN3O2
Molecular Weight241.27 g/mol
Exact Mass241.12
IUPAC Namehydrazinyl 3-(N-ethyl-3-fluoroanilino)propanoate
SMILESCCN(CCC(=O)ONN)c1cccc(F)c1
InChIInChI=1S/C11H16FN3O2/c1-2-15(7-6-11(16)17-14-13)10-5-3-4-9(12)8-10/h3-5,8,14H,2,6-7,13H2,1H3
InChIKeyUFOZQUPXCGSZJP-UHFFFAOYSA-N
XLogP0.96
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.96
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'}

Analyze hydrazinyl 3-(N-ethyl-3-fluoroanilino)propanoate 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

hydrazinyl 3-(N-ethyl-3-methylanilino)propanoate
CID 66337672
hydrazinyl 3-[3-(diethylamino)phenoxy]propanoate
CID 66338016
1-(2-bromophenyl)-3-(N-ethyl-3-fluoroanilino)propan-1-one
CID 63482091
methyl 3-(N-ethyl-3-fluoroanilino)-2,2-dimethylpropanoate
CID 79621537
N'-ethyl-N'-(3-fluorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine
CID 63502026
3-(N-ethyl-3-hydroxyanilino)propanoic acid
CID 23390580
3-[3-fluoro-N-(2-methylpropyl)anilino]propanoic acid
CID 82319254
hydrazinyl 3-[(3-chlorophenyl)methyl-methylamino]propanoate
CID 66337674
hydrazinyl 3-(2-fluoro-N-methylanilino)propanoate
CID 66336754
3-[3-fluoro-N-(3-methylbutyl)anilino]propanoic acid
CID 82319115
5-[(N-ethyl-3-fluoroanilino)methyl]furan-2-carbohydrazide
CID 63584129
5-(N-ethyl-3-fluoroanilino)-2,2-dimethylpentanethioamide
CID 65259841

Frequently Asked Questions

What is the IUPAC name of hydrazinyl 3-(N-ethyl-3-fluoroanilino)propanoate?
The IUPAC name of hydrazinyl 3-(N-ethyl-3-fluoroanilino)propanoate (CID 66337492) is hydrazinyl 3-(N-ethyl-3-fluoroanilino)propanoate.
What is the SMILES notation for hydrazinyl 3-(N-ethyl-3-fluoroanilino)propanoate?
The canonical SMILES for hydrazinyl 3-(N-ethyl-3-fluoroanilino)propanoate is CCN(CCC(=O)ONN)c1cccc(F)c1.
What is the InChIKey of hydrazinyl 3-(N-ethyl-3-fluoroanilino)propanoate?
The InChIKey is UFOZQUPXCGSZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O2/c1-2-15(7-6-11(16)17-14-13)10-5-3-4-9(12)8-10/h3-5,8,14H,2,6-7,13H2,1H3.
What are the key properties of hydrazinyl 3-(N-ethyl-3-fluoroanilino)propanoate?
hydrazinyl 3-(N-ethyl-3-fluoroanilino)propanoate has a molecular weight of 241.27 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-(N-ethyl-3-fluoroanilino)propanoate is sourced from PubChem (CID 66337492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).