2-(4-cyanophenoxy)-N'-[1-[3-(trifluoromethyl)phenyl]ethenyl]acetohydrazide

C18H14F3N3O2 — CID 2383224

IUPAC2-(4-cyanophenoxy)-N'-[1-[3-(trifluoromethyl)phenyl]ethenyl]acetohydrazide
SMILESC=C(NNC(=O)COc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H14F3N3O2/c1-12(14-3-2-4-15(9-14)18(19,20)21)23-24-17(25)11-26-16-7-5-13(10-22)6-8-16/h2-9,23H,1,11H2,(H,24,25)
InChIKeyVRRDHWZLUBQCFD-UHFFFAOYSA-N
MW361.32 g/mol
LogP3.25
Rot. Bonds6

About 2-(4-cyanophenoxy)-N'-[1-[3-(trifluoromethyl)phenyl]ethenyl]acetohydrazide

2-(4-cyanophenoxy)-N'-[1-[3-(trifluoromethyl)phenyl]ethenyl]acetohydrazide (PubChem CID 2383224) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N'-[1-[3-(trifluoromethyl)phenyl]ethenyl]acetohydrazide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N'-[1-[3-(trifluoromethyl)phenyl]ethenyl]acetohydrazide
PubChem CID2383224
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Name2-(4-cyanophenoxy)-N'-[1-[3-(trifluoromethyl)phenyl]ethenyl]acetohydrazide
SMILESC=C(NNC(=O)COc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H14F3N3O2/c1-12(14-3-2-4-15(9-14)18(19,20)21)23-24-17(25)11-26-16-7-5-13(10-22)6-8-16/h2-9,23H,1,11H2,(H,24,25)
InChIKeyVRRDHWZLUBQCFD-UHFFFAOYSA-N
XLogP3.25
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(4-cyanophenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 16552434
2-(4-iodophenoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]acetohydrazide
CID 4844211
N'-[1-(3-bromophenyl)ethenyl]-2-(4-methoxyphenoxy)acetohydrazide
CID 2382990
2-(4-cyanophenoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 60731032
4-cyano-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 18291756
2-(4-cyanophenoxy)-N-(1,1-diphenylethyl)acetamide
CID 56522927
2-(4-cyanophenoxy)-N'-hex-1-en-2-ylacetohydrazide
CID 2432444
4-[3-oxo-3-[3-(trifluoromethyl)phenyl]prop-1-enyl]benzonitrile
CID 5145404
N-(4-cyanophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxy]benzamide
CID 90241335
2-(4-chlorophenoxy)-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide
CID 4090907
4-(difluoromethoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]benzohydrazide
CID 7943250
N'-[2-(4-cyanophenoxy)acetyl]-2-methylpropanehydrazide
CID 24672619

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N'-[1-[3-(trifluoromethyl)phenyl]ethenyl]acetohydrazide?
The IUPAC name of 2-(4-cyanophenoxy)-N'-[1-[3-(trifluoromethyl)phenyl]ethenyl]acetohydrazide (CID 2383224) is 2-(4-cyanophenoxy)-N'-[1-[3-(trifluoromethyl)phenyl]ethenyl]acetohydrazide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N'-[1-[3-(trifluoromethyl)phenyl]ethenyl]acetohydrazide?
The canonical SMILES for 2-(4-cyanophenoxy)-N'-[1-[3-(trifluoromethyl)phenyl]ethenyl]acetohydrazide is C=C(NNC(=O)COc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(4-cyanophenoxy)-N'-[1-[3-(trifluoromethyl)phenyl]ethenyl]acetohydrazide?
The InChIKey is VRRDHWZLUBQCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c1-12(14-3-2-4-15(9-14)18(19,20)21)23-24-17(25)11-26-16-7-5-13(10-22)6-8-16/h2-9,23H,1,11H2,(H,24,25).
What are the key properties of 2-(4-cyanophenoxy)-N'-[1-[3-(trifluoromethyl)phenyl]ethenyl]acetohydrazide?
2-(4-cyanophenoxy)-N'-[1-[3-(trifluoromethyl)phenyl]ethenyl]acetohydrazide has a molecular weight of 361.32 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N'-[1-[3-(trifluoromethyl)phenyl]ethenyl]acetohydrazide is sourced from PubChem (CID 2383224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).