(E)-N'-[2-(2-cyanophenoxy)acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide

C22H16FN3O4 — CID 9428386

IUPAC(E)-N'-[2-(2-cyanophenoxy)acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide
SMILESN#Cc1ccccc1OCC(=O)NNC(=O)/C=C/c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C22H16FN3O4/c23-18-7-3-2-6-17(18)20-11-9-16(30-20)10-12-21(27)25-26-22(28)14-29-19-8-4-1-5-15(19)13-24/h1-12H,14H2,(H,25,27)(H,26,28)/b12-10+
InChIKeyFUUWOTMQXKDYPR-ZRDIBKRKSA-N
MW405.39 g/mol
LogP3.20
Rot. Bonds6

About (E)-N'-[2-(2-cyanophenoxy)acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide

(E)-N'-[2-(2-cyanophenoxy)acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide (PubChem CID 9428386) has the molecular formula C22H16FN3O4 and a molecular weight of 405.39 g/mol. Its IUPAC name is (E)-N'-[2-(2-cyanophenoxy)acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-N'-[2-(2-cyanophenoxy)acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide
PubChem CID9428386
Molecular FormulaC22H16FN3O4
Molecular Weight405.39 g/mol
Exact Mass405.11
IUPAC Name(E)-N'-[2-(2-cyanophenoxy)acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide
SMILESN#Cc1ccccc1OCC(=O)NNC(=O)/C=C/c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C22H16FN3O4/c23-18-7-3-2-6-17(18)20-11-9-16(30-20)10-12-21(27)25-26-22(28)14-29-19-8-4-1-5-15(19)13-24/h1-12H,14H2,(H,25,27)(H,26,28)/b12-10+
InChIKeyFUUWOTMQXKDYPR-ZRDIBKRKSA-N
XLogP3.20
TPSA104.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.39
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(4-cyanophenoxy)acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide
CID 9140747
(E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(5-methylfuran-2-yl)prop-2-enehydrazide
CID 26888241
(E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(2,6-difluorophenyl)prop-2-enehydrazide
CID 75403349
(E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(4-ethylphenyl)prop-2-enehydrazide
CID 9376055
N'-[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]furan-2-carbohydrazide
CID 9428099
(E)-N'-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide
CID 8940077
1-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
CID 9428126
2-(2-cyanophenoxy)-N-(2,6-difluorophenyl)acetamide
CID 2565570
methyl (2R)-2-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-3-hydroxypropanoate
CID 9278098
N'-(4,6-dimethylpyrimidin-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide
CID 71899302
N'-[2-(2-cyanophenoxy)acetyl]-7-fluoro-3-methyl-1-benzofuran-2-carbohydrazide
CID 9087972
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9275304

Frequently Asked Questions

What is the IUPAC name of (E)-N'-[2-(2-cyanophenoxy)acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide?
The IUPAC name of (E)-N'-[2-(2-cyanophenoxy)acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide (CID 9428386) is (E)-N'-[2-(2-cyanophenoxy)acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide.
What is the SMILES notation for (E)-N'-[2-(2-cyanophenoxy)acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide?
The canonical SMILES for (E)-N'-[2-(2-cyanophenoxy)acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide is N#Cc1ccccc1OCC(=O)NNC(=O)/C=C/c1ccc(-c2ccccc2F)o1.
What is the InChIKey of (E)-N'-[2-(2-cyanophenoxy)acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide?
The InChIKey is FUUWOTMQXKDYPR-ZRDIBKRKSA-N. The full InChI is InChI=1S/C22H16FN3O4/c23-18-7-3-2-6-17(18)20-11-9-16(30-20)10-12-21(27)25-26-22(28)14-29-19-8-4-1-5-15(19)13-24/h1-12H,14H2,(H,25,27)(H,26,28)/b12-10+.
What are the key properties of (E)-N'-[2-(2-cyanophenoxy)acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide?
(E)-N'-[2-(2-cyanophenoxy)acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide has a molecular weight of 405.39 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-[2-(2-cyanophenoxy)acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide is sourced from PubChem (CID 9428386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).