N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-iodobenzamide

C19H22IN3O — CID 18190160

IUPACN-[2-(4-ethylpiperazin-1-yl)phenyl]-3-iodobenzamide
SMILESCCN1CCN(c2ccccc2NC(=O)c2cccc(I)c2)CC1
InChIInChI=1S/C19H22IN3O/c1-2-22-10-12-23(13-11-22)18-9-4-3-8-17(18)21-19(24)15-6-5-7-16(20)14-15/h3-9,14H,2,10-13H2,1H3,(H,21,24)
InChIKeyFJSHUYKTLPRNBH-UHFFFAOYSA-N
MW435.31 g/mol
LogP3.69
Rot. Bonds4

About N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-iodobenzamide

N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-iodobenzamide (PubChem CID 18190160) has the molecular formula C19H22IN3O and a molecular weight of 435.31 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-iodobenzamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)phenyl]-3-iodobenzamide
PubChem CID18190160
Molecular FormulaC19H22IN3O
Molecular Weight435.31 g/mol
Exact Mass435.08
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)phenyl]-3-iodobenzamide
SMILESCCN1CCN(c2ccccc2NC(=O)c2cccc(I)c2)CC1
InChIInChI=1S/C19H22IN3O/c1-2-22-10-12-23(13-11-22)18-9-4-3-8-17(18)21-19(24)15-6-5-7-16(20)14-15/h3-9,14H,2,10-13H2,1H3,(H,21,24)
InChIKeyFJSHUYKTLPRNBH-UHFFFAOYSA-N
XLogP3.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-iodobenzamide
CID 2976682
3-iodo-N-(2-piperidin-1-ylphenyl)benzamide
CID 4501683
N-[2-(4-ethylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 46534125
1-acetyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dihydroindole-5-carboxamide
CID 51265836
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide
CID 39518918
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 23474767
2-bromo-N-[2-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 39737929
2-(4-ethylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyridine-4-carboxamide
CID 109168802
3-bromo-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide
CID 5042834
5-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide
CID 120647841
3-[(dimethylamino)methyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 57327086
3-methyl-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide
CID 1313458

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-iodobenzamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-iodobenzamide (CID 18190160) is N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-iodobenzamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-iodobenzamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-iodobenzamide is CCN1CCN(c2ccccc2NC(=O)c2cccc(I)c2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-iodobenzamide?
The InChIKey is FJSHUYKTLPRNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22IN3O/c1-2-22-10-12-23(13-11-22)18-9-4-3-8-17(18)21-19(24)15-6-5-7-16(20)14-15/h3-9,14H,2,10-13H2,1H3,(H,21,24).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-iodobenzamide?
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-iodobenzamide has a molecular weight of 435.31 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-iodobenzamide is sourced from PubChem (CID 18190160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).