(E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(2,6-difluorophenyl)prop-2-enehydrazide

C18H13F2N3O3 — CID 75403349

IUPAC(E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(2,6-difluorophenyl)prop-2-enehydrazide
SMILESN#Cc1ccccc1OCC(=O)NNC(=O)/C=C/c1c(F)cccc1F
InChIInChI=1S/C18H13F2N3O3/c19-14-5-3-6-15(20)13(14)8-9-17(24)22-23-18(25)11-26-16-7-2-1-4-12(16)10-21/h1-9H,11H2,(H,22,24)(H,23,25)/b9-8+
InChIKeyYVLCOSOVNILXNS-CMDGGOBGSA-N
MW357.32 g/mol
LogP2.08
Rot. Bonds5

About (E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(2,6-difluorophenyl)prop-2-enehydrazide

(E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(2,6-difluorophenyl)prop-2-enehydrazide (PubChem CID 75403349) has the molecular formula C18H13F2N3O3 and a molecular weight of 357.32 g/mol. Its IUPAC name is (E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(2,6-difluorophenyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(2,6-difluorophenyl)prop-2-enehydrazide
PubChem CID75403349
Molecular FormulaC18H13F2N3O3
Molecular Weight357.32 g/mol
Exact Mass357.09
IUPAC Name(E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(2,6-difluorophenyl)prop-2-enehydrazide
SMILESN#Cc1ccccc1OCC(=O)NNC(=O)/C=C/c1c(F)cccc1F
InChIInChI=1S/C18H13F2N3O3/c19-14-5-3-6-15(20)13(14)8-9-17(24)22-23-18(25)11-26-16-7-2-1-4-12(16)10-21/h1-9H,11H2,(H,22,24)(H,23,25)/b9-8+
InChIKeyYVLCOSOVNILXNS-CMDGGOBGSA-N
XLogP2.08
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(E)-N'-[2-(2-cyanophenoxy)acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide
CID 9428386
(E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(4-ethylphenyl)prop-2-enehydrazide
CID 9376055
(E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(5-methylfuran-2-yl)prop-2-enehydrazide
CID 26888241
2-(2-cyanophenoxy)-N-(2,6-difluorophenyl)acetamide
CID 2565570
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9275304
(E)-3-(2-ethoxyphenyl)-N'-[2-(2-fluorophenoxy)acetyl]prop-2-enehydrazide
CID 9471914
N'-[2-(2-cyanophenoxy)acetyl]-7-fluoro-3-methyl-1-benzofuran-2-carbohydrazide
CID 9087972
N'-[2-(2-cyanophenoxy)acetyl]-3-(4-fluorophenyl)sulfanylpropanehydrazide
CID 25435637
2-(2-cyanophenoxy)-N-(4-fluoro-3-methylphenyl)acetamide
CID 62812512
N-(2-aminoethyl)-2-(2-cyanophenoxy)acetamide
CID 12841749
2-(2-cyanophenoxy)-N-[(E)-[3-[(E)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 42995701
(E)-3-(4-ethoxyphenyl)-N'-[2-(2-fluorophenoxy)acetyl]prop-2-enehydrazide
CID 9471919

Frequently Asked Questions

What is the IUPAC name of (E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(2,6-difluorophenyl)prop-2-enehydrazide?
The IUPAC name of (E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(2,6-difluorophenyl)prop-2-enehydrazide (CID 75403349) is (E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(2,6-difluorophenyl)prop-2-enehydrazide.
What is the SMILES notation for (E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(2,6-difluorophenyl)prop-2-enehydrazide?
The canonical SMILES for (E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(2,6-difluorophenyl)prop-2-enehydrazide is N#Cc1ccccc1OCC(=O)NNC(=O)/C=C/c1c(F)cccc1F.
What is the InChIKey of (E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(2,6-difluorophenyl)prop-2-enehydrazide?
The InChIKey is YVLCOSOVNILXNS-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H13F2N3O3/c19-14-5-3-6-15(20)13(14)8-9-17(24)22-23-18(25)11-26-16-7-2-1-4-12(16)10-21/h1-9H,11H2,(H,22,24)(H,23,25)/b9-8+.
What are the key properties of (E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(2,6-difluorophenyl)prop-2-enehydrazide?
(E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(2,6-difluorophenyl)prop-2-enehydrazide has a molecular weight of 357.32 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(2,6-difluorophenyl)prop-2-enehydrazide is sourced from PubChem (CID 75403349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).