5-acetamido-N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-hydroxybenzamide

C22H27FN4O3 — CID 86897094

IUPAC5-acetamido-N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-hydroxybenzamide
SMILESCCN1CCN(c2ccc(CNC(=O)c3cc(NC(C)=O)ccc3O)cc2F)CC1
InChIInChI=1S/C22H27FN4O3/c1-3-26-8-10-27(11-9-26)20-6-4-16(12-19(20)23)14-24-22(30)18-13-17(25-15(2)28)5-7-21(18)29/h4-7,12-13,29H,3,8-11,14H2,1-2H3,(H,24,30)(H,25,28)
InChIKeyMINYQLWMVBVFOL-UHFFFAOYSA-N
MW414.48 g/mol
LogP2.56
Rot. Bonds6

About 5-acetamido-N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-hydroxybenzamide

5-acetamido-N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-hydroxybenzamide (PubChem CID 86897094) has the molecular formula C22H27FN4O3 and a molecular weight of 414.48 g/mol. Its IUPAC name is 5-acetamido-N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-acetamido-N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-hydroxybenzamide
PubChem CID86897094
Molecular FormulaC22H27FN4O3
Molecular Weight414.48 g/mol
Exact Mass414.21
IUPAC Name5-acetamido-N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-hydroxybenzamide
SMILESCCN1CCN(c2ccc(CNC(=O)c3cc(NC(C)=O)ccc3O)cc2F)CC1
InChIInChI=1S/C22H27FN4O3/c1-3-26-8-10-27(11-9-26)20-6-4-16(12-19(20)23)14-24-22(30)18-13-17(25-15(2)28)5-7-21(18)29/h4-7,12-13,29H,3,8-11,14H2,1-2H3,(H,24,30)(H,25,28)
InChIKeyMINYQLWMVBVFOL-UHFFFAOYSA-N
XLogP2.56
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-acetamido-N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-hydroxybenzamide 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

N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-2-hydroxy-5-propan-2-ylbenzamide
CID 110167007
N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 63060171
5-acetamido-N-[(4-fluorophenyl)methyl]-2-[4-[(2S)-2-phenylbutanoyl]piperazin-1-yl]benzamide
CID 93144669
N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 95614536
1-ethyl-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 75404860
N-[4-(azepan-1-yl)-3-fluorophenyl]acetamide
CID 155741497
5-acetamido-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-hydroxybenzamide
CID 86943591
1-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111761978
5-(ethylcarbamoylamino)-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 1065616
N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetamide
CID 86896540
4-(4-ethylpiperazin-1-yl)-3-fluorobenzoic acid
CID 28604489
N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide
CID 46830361

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-hydroxybenzamide?
The IUPAC name of 5-acetamido-N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-hydroxybenzamide (CID 86897094) is 5-acetamido-N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-hydroxybenzamide.
What is the SMILES notation for 5-acetamido-N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-hydroxybenzamide?
The canonical SMILES for 5-acetamido-N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-hydroxybenzamide is CCN1CCN(c2ccc(CNC(=O)c3cc(NC(C)=O)ccc3O)cc2F)CC1.
What is the InChIKey of 5-acetamido-N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-hydroxybenzamide?
The InChIKey is MINYQLWMVBVFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O3/c1-3-26-8-10-27(11-9-26)20-6-4-16(12-19(20)23)14-24-22(30)18-13-17(25-15(2)28)5-7-21(18)29/h4-7,12-13,29H,3,8-11,14H2,1-2H3,(H,24,30)(H,25,28).
What are the key properties of 5-acetamido-N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-hydroxybenzamide?
5-acetamido-N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-hydroxybenzamide has a molecular weight of 414.48 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-hydroxybenzamide is sourced from PubChem (CID 86897094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).