2-ethyl-N'-(4-fluorophenyl)but-2-enehydrazide

C12H15FN2O — CID 136535352

IUPAC2-ethyl-N'-(4-fluorophenyl)but-2-enehydrazide
SMILESCC=C(CC)C(=O)NNc1ccc(F)cc1
InChIInChI=1S/C12H15FN2O/c1-3-9(4-2)12(16)15-14-11-7-5-10(13)6-8-11/h3,5-8,14H,4H2,1-2H3,(H,15,16)
InChIKeyFUIJSOZZEHFMKV-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.63
Rot. Bonds4

About 2-ethyl-N'-(4-fluorophenyl)but-2-enehydrazide

2-ethyl-N'-(4-fluorophenyl)but-2-enehydrazide (PubChem CID 136535352) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 2-ethyl-N'-(4-fluorophenyl)but-2-enehydrazide.

Molecular Properties

Compound Name2-ethyl-N'-(4-fluorophenyl)but-2-enehydrazide
PubChem CID136535352
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name2-ethyl-N'-(4-fluorophenyl)but-2-enehydrazide
SMILESCC=C(CC)C(=O)NNc1ccc(F)cc1
InChIInChI=1S/C12H15FN2O/c1-3-9(4-2)12(16)15-14-11-7-5-10(13)6-8-11/h3,5-8,14H,4H2,1-2H3,(H,15,16)
InChIKeyFUIJSOZZEHFMKV-UHFFFAOYSA-N
XLogP2.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(4-fluorophenyl)-2-(methylamino)acetohydrazide;hydrochloride
CID 130686411
1-(4-fluoroanilino)-3-(4-fluorophenyl)urea
CID 27165314
N'-(4-fluorophenyl)hept-6-ynehydrazide
CID 126805755
N'-(4-fluorophenyl)-4-propylbenzohydrazide
CID 2812001
1-ethyl-3-(4-fluoroanilino)thiourea
CID 8669166
N'-(4-fluorophenyl)prop-2-ynehydrazide
CID 130620285
[3-[2-(4-fluorophenyl)hydrazinyl]-3-oxopropyl] acetate
CID 150065658
N'-(4-butylphenyl)-2-fluoroacetohydrazide
CID 23176923
2-(4-fluorophenyl)-N'-phenylacetohydrazide
CID 78774551
N-[4-(diethylamino)phenyl]-N'-(4-fluorophenyl)oxamide
CID 108512632
2-fluoro-N'-(4-methylphenyl)acetohydrazide
CID 23176925
1-N',2-N'-bis(4-prop-2-enylphenyl)ethanedihydrazide
CID 138619870

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-(4-fluorophenyl)but-2-enehydrazide?
The IUPAC name of 2-ethyl-N'-(4-fluorophenyl)but-2-enehydrazide (CID 136535352) is 2-ethyl-N'-(4-fluorophenyl)but-2-enehydrazide.
What is the SMILES notation for 2-ethyl-N'-(4-fluorophenyl)but-2-enehydrazide?
The canonical SMILES for 2-ethyl-N'-(4-fluorophenyl)but-2-enehydrazide is CC=C(CC)C(=O)NNc1ccc(F)cc1.
What is the InChIKey of 2-ethyl-N'-(4-fluorophenyl)but-2-enehydrazide?
The InChIKey is FUIJSOZZEHFMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-3-9(4-2)12(16)15-14-11-7-5-10(13)6-8-11/h3,5-8,14H,4H2,1-2H3,(H,15,16).
What are the key properties of 2-ethyl-N'-(4-fluorophenyl)but-2-enehydrazide?
2-ethyl-N'-(4-fluorophenyl)but-2-enehydrazide has a molecular weight of 222.26 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-(4-fluorophenyl)but-2-enehydrazide is sourced from PubChem (CID 136535352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).