2-iodo-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide

C17H17IN2O2 — CID 29263740

IUPAC2-iodo-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1I)NCCc1ccccc1
InChIInChI=1S/C17H17IN2O2/c18-15-9-5-4-8-14(15)17(22)20-12-16(21)19-11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,21)(H,20,22)
InChIKeyGDXPUIAXLKUMOV-UHFFFAOYSA-N
MW408.24 g/mol
LogP2.38
Rot. Bonds6

About 2-iodo-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide

2-iodo-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide (PubChem CID 29263740) has the molecular formula C17H17IN2O2 and a molecular weight of 408.24 g/mol. Its IUPAC name is 2-iodo-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
PubChem CID29263740
Molecular FormulaC17H17IN2O2
Molecular Weight408.24 g/mol
Exact Mass408.03
IUPAC Name2-iodo-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1I)NCCc1ccccc1
InChIInChI=1S/C17H17IN2O2/c18-15-9-5-4-8-14(15)17(22)20-12-16(21)19-11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,21)(H,20,22)
InChIKeyGDXPUIAXLKUMOV-UHFFFAOYSA-N
XLogP2.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.24
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-iodo-N-[2-oxo-2-(2-phenylethylamino)ethyl]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

2-iodo-N-[2-oxo-2-[2-(4-phenoxyphenyl)ethylamino]ethyl]benzamide
CID 11409427
2-iodo-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide
CID 2687936
2-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 35811048
2-iodo-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide
CID 32933927
N-[2-(4-hydroxyphenyl)ethyl]-2-iodobenzamide
CID 47059383
2-iodo-N-(2-pyridin-4-ylethyl)benzamide
CID 61400553
2-iodo-N-[2-[3-(N-methylanilino)propylamino]-2-oxoethyl]benzamide
CID 25472463
2-fluoro-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide
CID 2463726
2-iodo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 2688094
2-iodo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 26594284
2-iodo-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 27742948
methyl 6-[[2-[(2-iodobenzoyl)amino]acetyl]amino]hexanoate
CID 31840801

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide?
The IUPAC name of 2-iodo-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide (CID 29263740) is 2-iodo-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide.
What is the SMILES notation for 2-iodo-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide?
The canonical SMILES for 2-iodo-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide is O=C(CNC(=O)c1ccccc1I)NCCc1ccccc1.
What is the InChIKey of 2-iodo-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide?
The InChIKey is GDXPUIAXLKUMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IN2O2/c18-15-9-5-4-8-14(15)17(22)20-12-16(21)19-11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,21)(H,20,22).
What are the key properties of 2-iodo-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide?
2-iodo-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide has a molecular weight of 408.24 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide is sourced from PubChem (CID 29263740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).