2-[2-ethoxy-4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]-N,N-diethylacetamide

C21H26FN3O3 — CID 110506196

IUPAC2-[2-ethoxy-4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]-N,N-diethylacetamide
SMILESCCOc1cc(/C=N/Nc2ccc(F)cc2)ccc1OCC(=O)N(CC)CC
InChIInChI=1S/C21H26FN3O3/c1-4-25(5-2)21(26)15-28-19-12-7-16(13-20(19)27-6-3)14-23-24-18-10-8-17(22)9-11-18/h7-14,24H,4-6,15H2,1-3H3/b23-14+
InChIKeyMVSDDPCLQFGJPI-OEAKJJBVSA-N
MW387.46 g/mol
LogP3.92
Rot. Bonds10

About 2-[2-ethoxy-4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]-N,N-diethylacetamide

2-[2-ethoxy-4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]-N,N-diethylacetamide (PubChem CID 110506196) has the molecular formula C21H26FN3O3 and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[2-ethoxy-4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]-N,N-diethylacetamide
PubChem CID110506196
Molecular FormulaC21H26FN3O3
Molecular Weight387.46 g/mol
Exact Mass387.20
IUPAC Name2-[2-ethoxy-4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]-N,N-diethylacetamide
SMILESCCOc1cc(/C=N/Nc2ccc(F)cc2)ccc1OCC(=O)N(CC)CC
InChIInChI=1S/C21H26FN3O3/c1-4-25(5-2)21(26)15-28-19-12-7-16(13-20(19)27-6-3)14-23-24-18-10-8-17(22)9-11-18/h7-14,24H,4-6,15H2,1-3H3/b23-14+
InChIKeyMVSDDPCLQFGJPI-OEAKJJBVSA-N
XLogP3.92
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[2-ethoxy-4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]-N,N-diethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[[(3-chlorophenyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]-N,N-diethylacetamide
CID 110840203
2-[4-[(Z)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]-N,N-dimethylacetamide
CID 9058353
N-[(Z)-(3-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]-4-fluoroaniline
CID 9076289
2-[4-[(E)-[(6-tert-butyl-5-oxo-4H-1,2,4-triazin-3-yl)hydrazinylidene]methyl]-2-ethoxyphenoxy]-N,N-diethylacetamide
CID 136788736
N'-[(Z)-[3-ethoxy-4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide
CID 126270834
2-amino-N-[(Z)-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]benzamide
CID 110512029
2-[2-methoxy-4-[[[4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]-N,N-dipropylacetamide
CID 110842060
N-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-nitroaniline
CID 96867531
2-[2-ethoxy-4-[(E)-(thiophen-2-ylsulfonylhydrazinylidene)methyl]phenoxy]-N,N-diethylacetamide
CID 110518118
N-(4-ethoxyphenyl)-2-[2-ethoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]acetamide
CID 169383482
2-[2-ethoxy-4-[(Z)-(3-methylsulfanyl-5-propan-2-yl-1,2,4-triazol-4-yl)iminomethyl]phenoxy]-N,N-diethylacetamide
CID 110521907
2-bromo-6-ethoxy-4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]phenol
CID 136712180

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]-N,N-diethylacetamide?
The IUPAC name of 2-[2-ethoxy-4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]-N,N-diethylacetamide (CID 110506196) is 2-[2-ethoxy-4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]-N,N-diethylacetamide.
What is the SMILES notation for 2-[2-ethoxy-4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]-N,N-diethylacetamide?
The canonical SMILES for 2-[2-ethoxy-4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]-N,N-diethylacetamide is CCOc1cc(/C=N/Nc2ccc(F)cc2)ccc1OCC(=O)N(CC)CC.
What is the InChIKey of 2-[2-ethoxy-4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]-N,N-diethylacetamide?
The InChIKey is MVSDDPCLQFGJPI-OEAKJJBVSA-N. The full InChI is InChI=1S/C21H26FN3O3/c1-4-25(5-2)21(26)15-28-19-12-7-16(13-20(19)27-6-3)14-23-24-18-10-8-17(22)9-11-18/h7-14,24H,4-6,15H2,1-3H3/b23-14+.
What are the key properties of 2-[2-ethoxy-4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]-N,N-diethylacetamide?
2-[2-ethoxy-4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]-N,N-diethylacetamide has a molecular weight of 387.46 g/mol, XLogP of 3.92, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]-N,N-diethylacetamide is sourced from PubChem (CID 110506196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).