N'-[(E,1R)-3-(4-fluorophenyl)-1-phenylprop-2-enyl]acetohydrazide

C17H17FN2O — CID 177394133

IUPACN'-[(E,1R)-3-(4-fluorophenyl)-1-phenylprop-2-enyl]acetohydrazide
SMILESCC(=O)NN[C@H](/C=C/c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C17H17FN2O/c1-13(21)19-20-17(15-5-3-2-4-6-15)12-9-14-7-10-16(18)11-8-14/h2-12,17,20H,1H3,(H,19,21)/b12-9+/t17-/m1/s1
InChIKeyBOSXIWXCZAGANW-XLNAKTSKSA-N
MW284.33 g/mol
LogP3.22
Rot. Bonds5

About N'-[(E,1R)-3-(4-fluorophenyl)-1-phenylprop-2-enyl]acetohydrazide

N'-[(E,1R)-3-(4-fluorophenyl)-1-phenylprop-2-enyl]acetohydrazide (PubChem CID 177394133) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is N'-[(E,1R)-3-(4-fluorophenyl)-1-phenylprop-2-enyl]acetohydrazide.

Molecular Properties

Compound NameN'-[(E,1R)-3-(4-fluorophenyl)-1-phenylprop-2-enyl]acetohydrazide
PubChem CID177394133
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC NameN'-[(E,1R)-3-(4-fluorophenyl)-1-phenylprop-2-enyl]acetohydrazide
SMILESCC(=O)NN[C@H](/C=C/c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C17H17FN2O/c1-13(21)19-20-17(15-5-3-2-4-6-15)12-9-14-7-10-16(18)11-8-14/h2-12,17,20H,1H3,(H,19,21)/b12-9+/t17-/m1/s1
InChIKeyBOSXIWXCZAGANW-XLNAKTSKSA-N
XLogP3.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-4-[(E,3R)-3-phenylbut-1-enyl]benzene
CID 177383855
N'-[(1R)-1-phenylethyl]acetohydrazide
CID 134953253
(E)-3-(4-fluorophenyl)-N-(1-phenylpropyl)prop-2-enamide
CID 17327962
4-(3,3-diphenylprop-1-enyl)phenol
CID 174315137
(E)-3-(4-fluorophenyl)-N-[(1S)-3-methyl-1-phenylbutyl]prop-2-enamide
CID 94016192
(E)-3-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]prop-2-enamide
CID 94016193
[(E)-1-(4-fluorophenyl)-3-phenylprop-2-enyl] 2,2-dimethylpropanoate
CID 167189022
[2-[(E)-1-acetyloxy-3-(4-fluorophenyl)prop-2-enyl]phenyl] acetate
CID 118481864
N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide
CID 30405081
(E)-3-(4-fluorophenyl)-N-(1-phenylethylcarbamothioyl)prop-2-enamide
CID 6308141
N'-[(4-fluorophenyl)methylideneamino]-N-(1-phenylethyl)oxamide
CID 3105349
N-[(E)-3-(4-bromophenyl)-1-(4-methoxyphenyl)prop-2-enyl]benzamide
CID 46855421

Frequently Asked Questions

What is the IUPAC name of N'-[(E,1R)-3-(4-fluorophenyl)-1-phenylprop-2-enyl]acetohydrazide?
The IUPAC name of N'-[(E,1R)-3-(4-fluorophenyl)-1-phenylprop-2-enyl]acetohydrazide (CID 177394133) is N'-[(E,1R)-3-(4-fluorophenyl)-1-phenylprop-2-enyl]acetohydrazide.
What is the SMILES notation for N'-[(E,1R)-3-(4-fluorophenyl)-1-phenylprop-2-enyl]acetohydrazide?
The canonical SMILES for N'-[(E,1R)-3-(4-fluorophenyl)-1-phenylprop-2-enyl]acetohydrazide is CC(=O)NN[C@H](/C=C/c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N'-[(E,1R)-3-(4-fluorophenyl)-1-phenylprop-2-enyl]acetohydrazide?
The InChIKey is BOSXIWXCZAGANW-XLNAKTSKSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-13(21)19-20-17(15-5-3-2-4-6-15)12-9-14-7-10-16(18)11-8-14/h2-12,17,20H,1H3,(H,19,21)/b12-9+/t17-/m1/s1.
What are the key properties of N'-[(E,1R)-3-(4-fluorophenyl)-1-phenylprop-2-enyl]acetohydrazide?
N'-[(E,1R)-3-(4-fluorophenyl)-1-phenylprop-2-enyl]acetohydrazide has a molecular weight of 284.33 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E,1R)-3-(4-fluorophenyl)-1-phenylprop-2-enyl]acetohydrazide is sourced from PubChem (CID 177394133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).