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

C24H18FN3O3 — CID 4612064

IUPACN'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]-3-(3-fluorophenyl)prop-2-enehydrazide
SMILESN#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)C=Cc3cccc(F)c3)cc2)cc1
InChIInChI=1S/C24H18FN3O3/c25-21-3-1-2-17(14-21)6-13-23(29)27-28-24(30)16-31-22-11-9-20(10-12-22)19-7-4-18(15-26)5-8-19/h1-14H,16H2,(H,27,29)(H,28,30)
InChIKeyGNNDXQUQDGMNAA-UHFFFAOYSA-N
MW415.42 g/mol
LogP3.60
Rot. Bonds6

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

N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]-3-(3-fluorophenyl)prop-2-enehydrazide (PubChem CID 4612064) has the molecular formula C24H18FN3O3 and a molecular weight of 415.42 g/mol. Its IUPAC name is N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]-3-(3-fluorophenyl)prop-2-enehydrazide.

Molecular Properties

Compound NameN'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]-3-(3-fluorophenyl)prop-2-enehydrazide
PubChem CID4612064
Molecular FormulaC24H18FN3O3
Molecular Weight415.42 g/mol
Exact Mass415.13
IUPAC NameN'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]-3-(3-fluorophenyl)prop-2-enehydrazide
SMILESN#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)C=Cc3cccc(F)c3)cc2)cc1
InChIInChI=1S/C24H18FN3O3/c25-21-3-1-2-17(14-21)6-13-23(29)27-28-24(30)16-31-22-11-9-20(10-12-22)19-7-4-18(15-26)5-8-19/h1-14H,16H2,(H,27,29)(H,28,30)
InChIKeyGNNDXQUQDGMNAA-UHFFFAOYSA-N
XLogP3.60
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 53.60
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-(4-chloro-3-methylphenoxy)acetyl]-3-(3-fluorophenyl)prop-2-enehydrazide
CID 18230911
(E)-3-(3-chlorophenyl)-N'-[2-(4-fluorophenoxy)acetyl]prop-2-enehydrazide
CID 8880097
2-[4-(4-cyanophenyl)phenoxy]-N-(3-fluorophenyl)acetamide
CID 7966651
(E)-3-(2-chlorophenyl)-N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]prop-2-enehydrazide
CID 24636166
(E)-N'-[2-(4-cyanophenoxy)acetyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enehydrazide
CID 9471674
methyl 5-[(E)-3-[2-[2-[4-(4-cyanophenyl)phenoxy]acetyl]hydrazinyl]-3-oxoprop-1-enyl]-2-methylfuran-3-carboxylate
CID 24559619
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N'-[2-(4-cyanophenoxy)acetyl]prop-2-enehydrazide
CID 9471671
2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]phenoxy]-N-methylacetamide
CID 8830407
(E)-N'-[2-(4-cyanophenoxy)acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide
CID 9140747
3-(4-fluorophenyl)-N'-[2-(4-methoxyphenoxy)acetyl]prop-2-enehydrazide
CID 4294808
N-cyano-3-(3-fluorophenyl)prop-2-enamide
CID 79193644
(2S)-2-(4-ethoxyphenoxy)-N'-[(E)-3-(3-fluorophenyl)prop-2-enoyl]propanehydrazide
CID 8960600

Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]-3-(3-fluorophenyl)prop-2-enehydrazide?
The IUPAC name of N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]-3-(3-fluorophenyl)prop-2-enehydrazide (CID 4612064) is N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]-3-(3-fluorophenyl)prop-2-enehydrazide.
What is the SMILES notation for N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]-3-(3-fluorophenyl)prop-2-enehydrazide?
The canonical SMILES for N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]-3-(3-fluorophenyl)prop-2-enehydrazide is N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)C=Cc3cccc(F)c3)cc2)cc1.
What is the InChIKey of N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]-3-(3-fluorophenyl)prop-2-enehydrazide?
The InChIKey is GNNDXQUQDGMNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O3/c25-21-3-1-2-17(14-21)6-13-23(29)27-28-24(30)16-31-22-11-9-20(10-12-22)19-7-4-18(15-26)5-8-19/h1-14H,16H2,(H,27,29)(H,28,30).
What are the key properties of N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]-3-(3-fluorophenyl)prop-2-enehydrazide?
N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]-3-(3-fluorophenyl)prop-2-enehydrazide has a molecular weight of 415.42 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]-3-(3-fluorophenyl)prop-2-enehydrazide is sourced from PubChem (CID 4612064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).