3-(4-fluorophenyl)-N'-[2-(4-methoxyphenoxy)acetyl]prop-2-enehydrazide

C18H17FN2O4 — CID 4294808

IUPAC3-(4-fluorophenyl)-N'-[2-(4-methoxyphenoxy)acetyl]prop-2-enehydrazide
SMILESCOc1ccc(OCC(=O)NNC(=O)C=Cc2ccc(F)cc2)cc1
InChIInChI=1S/C18H17FN2O4/c1-24-15-7-9-16(10-8-15)25-12-18(23)21-20-17(22)11-4-13-2-5-14(19)6-3-13/h2-11H,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyQVWCSERBRYLFQQ-UHFFFAOYSA-N
MW344.34 g/mol
LogP2.07
Rot. Bonds6

About 3-(4-fluorophenyl)-N'-[2-(4-methoxyphenoxy)acetyl]prop-2-enehydrazide

3-(4-fluorophenyl)-N'-[2-(4-methoxyphenoxy)acetyl]prop-2-enehydrazide (PubChem CID 4294808) has the molecular formula C18H17FN2O4 and a molecular weight of 344.34 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N'-[2-(4-methoxyphenoxy)acetyl]prop-2-enehydrazide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N'-[2-(4-methoxyphenoxy)acetyl]prop-2-enehydrazide
PubChem CID4294808
Molecular FormulaC18H17FN2O4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC Name3-(4-fluorophenyl)-N'-[2-(4-methoxyphenoxy)acetyl]prop-2-enehydrazide
SMILESCOc1ccc(OCC(=O)NNC(=O)C=Cc2ccc(F)cc2)cc1
InChIInChI=1S/C18H17FN2O4/c1-24-15-7-9-16(10-8-15)25-12-18(23)21-20-17(22)11-4-13-2-5-14(19)6-3-13/h2-11H,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyQVWCSERBRYLFQQ-UHFFFAOYSA-N
XLogP2.07
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 52.07
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

ethyl 4-[2-[2-[(E)-3-(4-fluorophenyl)prop-2-enoyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 6233983
(E)-3-(4-methoxyphenyl)-N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enehydrazide
CID 21406103
propyl 4-[2-[2-[3-(4-fluorophenyl)prop-2-enoyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4927758
N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]-3-(4-methylphenyl)prop-2-enamide
CID 3279493
(E)-3-(3-chlorophenyl)-N'-[2-(4-fluorophenoxy)acetyl]prop-2-enehydrazide
CID 8880097
(E)-3-(4-ethoxyphenyl)-N'-[2-(2-fluorophenoxy)acetyl]prop-2-enehydrazide
CID 9471919
methyl N-[3-(4-methoxyphenyl)prop-2-enoylamino]carbamate
CID 3316447
(E)-N'-[2-(4-methoxyphenoxy)acetyl]-3-(5-methylfuran-2-yl)prop-2-enehydrazide
CID 6146665
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
N-[(E)-(4-fluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6893389
N'-[2-(4-methoxyphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
CID 4146389
N'-[2-(4-fluorophenoxy)acetyl]-3-(4-methoxyphenyl)propanehydrazide
CID 26929871

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N'-[2-(4-methoxyphenoxy)acetyl]prop-2-enehydrazide?
The IUPAC name of 3-(4-fluorophenyl)-N'-[2-(4-methoxyphenoxy)acetyl]prop-2-enehydrazide (CID 4294808) is 3-(4-fluorophenyl)-N'-[2-(4-methoxyphenoxy)acetyl]prop-2-enehydrazide.
What is the SMILES notation for 3-(4-fluorophenyl)-N'-[2-(4-methoxyphenoxy)acetyl]prop-2-enehydrazide?
The canonical SMILES for 3-(4-fluorophenyl)-N'-[2-(4-methoxyphenoxy)acetyl]prop-2-enehydrazide is COc1ccc(OCC(=O)NNC(=O)C=Cc2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N'-[2-(4-methoxyphenoxy)acetyl]prop-2-enehydrazide?
The InChIKey is QVWCSERBRYLFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4/c1-24-15-7-9-16(10-8-15)25-12-18(23)21-20-17(22)11-4-13-2-5-14(19)6-3-13/h2-11H,12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 3-(4-fluorophenyl)-N'-[2-(4-methoxyphenoxy)acetyl]prop-2-enehydrazide?
3-(4-fluorophenyl)-N'-[2-(4-methoxyphenoxy)acetyl]prop-2-enehydrazide has a molecular weight of 344.34 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N'-[2-(4-methoxyphenoxy)acetyl]prop-2-enehydrazide is sourced from PubChem (CID 4294808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).