2-[4-[2-[[ethylamino-[4-(2-fluorophenyl)piperazin-1-yl]methylidene]amino]ethyl]phenoxy]acetamide

C23H30FN5O2 — CID 111149100

IUPAC2-[4-[2-[[ethylamino-[4-(2-fluorophenyl)piperazin-1-yl]methylidene]amino]ethyl]phenoxy]acetamide
SMILESCCN/C(=N\CCc1ccc(OCC(N)=O)cc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C23H30FN5O2/c1-2-26-23(27-12-11-18-7-9-19(10-8-18)31-17-22(25)30)29-15-13-28(14-16-29)21-6-4-3-5-20(21)24/h3-10H,2,11-17H2,1H3,(H2,25,30)(H,26,27)
InChIKeyOHUPOZZUUUBLTI-UHFFFAOYSA-N
MW427.52 g/mol
LogP2.02
Rot. Bonds8

About 2-[4-[2-[[ethylamino-[4-(2-fluorophenyl)piperazin-1-yl]methylidene]amino]ethyl]phenoxy]acetamide

2-[4-[2-[[ethylamino-[4-(2-fluorophenyl)piperazin-1-yl]methylidene]amino]ethyl]phenoxy]acetamide (PubChem CID 111149100) has the molecular formula C23H30FN5O2 and a molecular weight of 427.52 g/mol. Its IUPAC name is 2-[4-[2-[[ethylamino-[4-(2-fluorophenyl)piperazin-1-yl]methylidene]amino]ethyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[2-[[ethylamino-[4-(2-fluorophenyl)piperazin-1-yl]methylidene]amino]ethyl]phenoxy]acetamide
PubChem CID111149100
Molecular FormulaC23H30FN5O2
Molecular Weight427.52 g/mol
Exact Mass427.24
IUPAC Name2-[4-[2-[[ethylamino-[4-(2-fluorophenyl)piperazin-1-yl]methylidene]amino]ethyl]phenoxy]acetamide
SMILESCCN/C(=N\CCc1ccc(OCC(N)=O)cc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C23H30FN5O2/c1-2-26-23(27-12-11-18-7-9-19(10-8-18)31-17-22(25)30)29-15-13-28(14-16-29)21-6-4-3-5-20(21)24/h3-10H,2,11-17H2,1H3,(H2,25,30)(H,26,27)
InChIKeyOHUPOZZUUUBLTI-UHFFFAOYSA-N
XLogP2.02
TPSA83.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[4-[2-[[ethylamino-[4-(2-fluorophenyl)piperazin-1-yl]methylidene]amino]ethyl]phenoxy]acetamide 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-[2-[[ethylamino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]ethyl]phenoxy]acetamide
CID 111165818
2-[3-[[[ethylamino-[4-(2-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]phenoxy]acetamide;hydroiodide
CID 111983734
2-[4-[2-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]phenoxy]acetamide
CID 111154430
methyl 5-[[ethylamino-[4-(2-fluorophenyl)piperazin-1-yl]methylidene]amino]pentanoate;hydroiodide
CID 111149133
N-ethyl-4-(2-fluorophenyl)-N'-(3-propan-2-yloxypropyl)piperazine-1-carboximidamide
CID 111148463
N-ethyl-4-(2-fluorophenyl)-N'-(2-sulfamoylethyl)piperazine-1-carboximidamide
CID 111148489
2-[4-[2-[[2-azaspiro[4.5]decan-2-yl(ethylamino)methylidene]amino]ethyl]phenoxy]acetamide
CID 111744343
N-ethyl-4-(2-fluorophenyl)-N'-(3-propan-2-yloxypropyl)piperazine-1-carboximidamide;hydroiodide
CID 111148462
4-acetyl-N-ethyl-N'-[2-(4-phenylmethoxyphenyl)ethyl]piperazine-1-carboximidamide
CID 110962871
N-ethyl-4-(2-fluorophenyl)-N'-(3-oxo-3-pyrrolidin-1-ylpropyl)piperazine-1-carboximidamide
CID 111148669
2-[4-[2-[[(2,2-dimethylthiomorpholin-4-yl)-(ethylamino)methylidene]amino]ethyl]phenoxy]acetamide;hydroiodide
CID 109488527
2-[3-[[[ethylamino-[4-(2-hydroxyphenyl)piperazin-1-yl]methylidene]amino]methyl]phenoxy]acetamide
CID 111983865

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[ethylamino-[4-(2-fluorophenyl)piperazin-1-yl]methylidene]amino]ethyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[2-[[ethylamino-[4-(2-fluorophenyl)piperazin-1-yl]methylidene]amino]ethyl]phenoxy]acetamide (CID 111149100) is 2-[4-[2-[[ethylamino-[4-(2-fluorophenyl)piperazin-1-yl]methylidene]amino]ethyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[2-[[ethylamino-[4-(2-fluorophenyl)piperazin-1-yl]methylidene]amino]ethyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[2-[[ethylamino-[4-(2-fluorophenyl)piperazin-1-yl]methylidene]amino]ethyl]phenoxy]acetamide is CCN/C(=N\CCc1ccc(OCC(N)=O)cc1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 2-[4-[2-[[ethylamino-[4-(2-fluorophenyl)piperazin-1-yl]methylidene]amino]ethyl]phenoxy]acetamide?
The InChIKey is OHUPOZZUUUBLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN5O2/c1-2-26-23(27-12-11-18-7-9-19(10-8-18)31-17-22(25)30)29-15-13-28(14-16-29)21-6-4-3-5-20(21)24/h3-10H,2,11-17H2,1H3,(H2,25,30)(H,26,27).
What are the key properties of 2-[4-[2-[[ethylamino-[4-(2-fluorophenyl)piperazin-1-yl]methylidene]amino]ethyl]phenoxy]acetamide?
2-[4-[2-[[ethylamino-[4-(2-fluorophenyl)piperazin-1-yl]methylidene]amino]ethyl]phenoxy]acetamide has a molecular weight of 427.52 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[[ethylamino-[4-(2-fluorophenyl)piperazin-1-yl]methylidene]amino]ethyl]phenoxy]acetamide is sourced from PubChem (CID 111149100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).