2-iodo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide

C22H28IN3O2 — CID 11027407

IUPAC2-iodo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)c2ccccc2I)CC1
InChIInChI=1S/C22H28IN3O2/c1-28-21-11-5-4-10-20(21)26-16-14-25(15-17-26)13-7-6-12-24-22(27)18-8-2-3-9-19(18)23/h2-5,8-11H,6-7,12-17H2,1H3,(H,24,27)
InChIKeyBRNFEWAEDMSDHL-UHFFFAOYSA-N
MW493.39 g/mol
LogP3.63
Rot. Bonds8

About 2-iodo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide

2-iodo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide (PubChem CID 11027407) has the molecular formula C22H28IN3O2 and a molecular weight of 493.39 g/mol. Its IUPAC name is 2-iodo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
PubChem CID11027407
Molecular FormulaC22H28IN3O2
Molecular Weight493.39 g/mol
Exact Mass493.12
IUPAC Name2-iodo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)c2ccccc2I)CC1
InChIInChI=1S/C22H28IN3O2/c1-28-21-11-5-4-10-20(21)26-16-14-25(15-17-26)13-7-6-12-24-22(27)18-8-2-3-9-19(18)23/h2-5,8-11H,6-7,12-17H2,1H3,(H,24,27)
InChIKeyBRNFEWAEDMSDHL-UHFFFAOYSA-N
XLogP3.63
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-iodo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide 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-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]thiophene-2-carboxamide
CID 10248783
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9-oxofluorene-4-carboxamide
CID 10874342
4-tert-butyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 10971923
2,5-dichloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 42273217
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carboxamide
CID 11504230
2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 13318490
2-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 47029114
3,4-dichloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 15050919
2-[2-(2-methoxyphenyl)phenyl]-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]acetamide
CID 72548353
3-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]thiophene-2-carboxamide
CID 10364070
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]cyclopentanecarboxamide
CID 10451105
2,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 42266860

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide?
The IUPAC name of 2-iodo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide (CID 11027407) is 2-iodo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide.
What is the SMILES notation for 2-iodo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide?
The canonical SMILES for 2-iodo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide is COc1ccccc1N1CCN(CCCCNC(=O)c2ccccc2I)CC1.
What is the InChIKey of 2-iodo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide?
The InChIKey is BRNFEWAEDMSDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28IN3O2/c1-28-21-11-5-4-10-20(21)26-16-14-25(15-17-26)13-7-6-12-24-22(27)18-8-2-3-9-19(18)23/h2-5,8-11H,6-7,12-17H2,1H3,(H,24,27).
What are the key properties of 2-iodo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide?
2-iodo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide has a molecular weight of 493.39 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide is sourced from PubChem (CID 11027407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).