4-(2-fluoroethyl)-N-[(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]benzamide

C24H30FN3O2 — CID 51354279

IUPAC4-(2-fluoroethyl)-N-[(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]benzamide
SMILESCOc1ccccc1N1CCN(C/C=C/CNC(=O)c2ccc(CCF)cc2)CC1
InChIInChI=1S/C24H30FN3O2/c1-30-23-7-3-2-6-22(23)28-18-16-27(17-19-28)15-5-4-14-26-24(29)21-10-8-20(9-11-21)12-13-25/h2-11H,12-19H2,1H3,(H,26,29)/b5-4+
InChIKeyXBPMVETTWGWOJL-SNAWJCMRSA-N
MW411.52 g/mol
LogP3.32
Rot. Bonds9

About 4-(2-fluoroethyl)-N-[(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]benzamide

4-(2-fluoroethyl)-N-[(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]benzamide (PubChem CID 51354279) has the molecular formula C24H30FN3O2 and a molecular weight of 411.52 g/mol. Its IUPAC name is 4-(2-fluoroethyl)-N-[(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]benzamide.

Molecular Properties

Compound Name4-(2-fluoroethyl)-N-[(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]benzamide
PubChem CID51354279
Molecular FormulaC24H30FN3O2
Molecular Weight411.52 g/mol
Exact Mass411.23
IUPAC Name4-(2-fluoroethyl)-N-[(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]benzamide
SMILESCOc1ccccc1N1CCN(C/C=C/CNC(=O)c2ccc(CCF)cc2)CC1
InChIInChI=1S/C24H30FN3O2/c1-30-23-7-3-2-6-22(23)28-18-16-27(17-19-28)15-5-4-14-26-24(29)21-10-8-20(9-11-21)12-13-25/h2-11H,12-19H2,1H3,(H,26,29)/b5-4+
InChIKeyXBPMVETTWGWOJL-SNAWJCMRSA-N
XLogP3.32
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]but-2-enyl]-4-thiophen-3-ylbenzamide;oxalic acid
CID 51355423
5-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]-1H-indole-3-carboxamide
CID 176732182
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-prop-2-enylbenzamide
CID 109043513
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-(2-piperidin-1-ylethyl)benzamide
CID 46054193
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 46043442
4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9335318
N-[2-(4-chlorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 8687762
4-tert-butyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 10971923
1-[(E)-3-chloroprop-2-enyl]-4-(2-methoxyphenyl)piperazine;sulfuric acid
CID 5478301
4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 51354851
N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108530710
N-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]phenyl]-4-(trifluoromethyl)benzamide
CID 44532094

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)-N-[(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]benzamide?
The IUPAC name of 4-(2-fluoroethyl)-N-[(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]benzamide (CID 51354279) is 4-(2-fluoroethyl)-N-[(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]benzamide.
What is the SMILES notation for 4-(2-fluoroethyl)-N-[(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]benzamide?
The canonical SMILES for 4-(2-fluoroethyl)-N-[(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]benzamide is COc1ccccc1N1CCN(C/C=C/CNC(=O)c2ccc(CCF)cc2)CC1.
What is the InChIKey of 4-(2-fluoroethyl)-N-[(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]benzamide?
The InChIKey is XBPMVETTWGWOJL-SNAWJCMRSA-N. The full InChI is InChI=1S/C24H30FN3O2/c1-30-23-7-3-2-6-22(23)28-18-16-27(17-19-28)15-5-4-14-26-24(29)21-10-8-20(9-11-21)12-13-25/h2-11H,12-19H2,1H3,(H,26,29)/b5-4+.
What are the key properties of 4-(2-fluoroethyl)-N-[(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]benzamide?
4-(2-fluoroethyl)-N-[(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]benzamide has a molecular weight of 411.52 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)-N-[(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]benzamide is sourced from PubChem (CID 51354279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).