3-(N-ethyl-2-fluoroanilino)propanehydrazide

C11H16FN3O — CID 63583064

IUPAC3-(N-ethyl-2-fluoroanilino)propanehydrazide
SMILESCCN(CCC(=O)NN)c1ccccc1F
InChIInChI=1S/C11H16FN3O/c1-2-15(8-7-11(16)14-13)10-6-4-3-5-9(10)12/h3-6H,2,7-8,13H2,1H3,(H,14,16)
InChIKeyNTEFWXSZAGGKMR-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.03
Rot. Bonds5

About 3-(N-ethyl-2-fluoroanilino)propanehydrazide

3-(N-ethyl-2-fluoroanilino)propanehydrazide (PubChem CID 63583064) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 3-(N-ethyl-2-fluoroanilino)propanehydrazide.

Molecular Properties

Compound Name3-(N-ethyl-2-fluoroanilino)propanehydrazide
PubChem CID63583064
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name3-(N-ethyl-2-fluoroanilino)propanehydrazide
SMILESCCN(CCC(=O)NN)c1ccccc1F
InChIInChI=1S/C11H16FN3O/c1-2-15(8-7-11(16)14-13)10-6-4-3-5-9(10)12/h3-6H,2,7-8,13H2,1H3,(H,14,16)
InChIKeyNTEFWXSZAGGKMR-UHFFFAOYSA-N
XLogP1.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.03
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

3-[N-(3-aminopropyl)-2-fluoroanilino]-N-ethylpropanamide
CID 62326935
2-amino-4-(N-ethyl-2-fluoroanilino)butanoic acid
CID 63054175
3-[N-(2-aminoethyl)-2-fluoroanilino]propanoic acid
CID 117013428
3-(N-butyl-2-fluoroanilino)propanoic acid
CID 82317948
3-(2-amino-N-ethylanilino)-N-methylpropanamide
CID 62324074
1-[2-(N-ethyl-2-fluoroanilino)ethyl]triazole-4-carbohydrazide
CID 63583992
ethyl-(2-fluorophenyl)carbamic acid
CID 57376109
4-(N-ethyl-2-fluoroanilino)-2-(methylamino)butan-1-ol
CID 64791728
3-(N-acetyl-2-fluoroanilino)-N-(2-fluorophenyl)propanamide
CID 113126739
3-(N-acetyl-2-fluoroanilino)-N-propan-2-ylpropanamide
CID 113126629
3-(2-fluoro-N-prop-2-enylanilino)propanoic acid
CID 82317541
N-(2-fluorophenyl)-4-hydrazinyl-4-oxobutanamide
CID 91820804

Frequently Asked Questions

What is the IUPAC name of 3-(N-ethyl-2-fluoroanilino)propanehydrazide?
The IUPAC name of 3-(N-ethyl-2-fluoroanilino)propanehydrazide (CID 63583064) is 3-(N-ethyl-2-fluoroanilino)propanehydrazide.
What is the SMILES notation for 3-(N-ethyl-2-fluoroanilino)propanehydrazide?
The canonical SMILES for 3-(N-ethyl-2-fluoroanilino)propanehydrazide is CCN(CCC(=O)NN)c1ccccc1F.
What is the InChIKey of 3-(N-ethyl-2-fluoroanilino)propanehydrazide?
The InChIKey is NTEFWXSZAGGKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-2-15(8-7-11(16)14-13)10-6-4-3-5-9(10)12/h3-6H,2,7-8,13H2,1H3,(H,14,16).
What are the key properties of 3-(N-ethyl-2-fluoroanilino)propanehydrazide?
3-(N-ethyl-2-fluoroanilino)propanehydrazide has a molecular weight of 225.27 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-ethyl-2-fluoroanilino)propanehydrazide is sourced from PubChem (CID 63583064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).