2-[2-(2-iodophenyl)ethyl-methylamino]-1-(4-methoxyphenyl)-2-phenylethanone

C24H24INO2 — CID 101417674

IUPAC2-[2-(2-iodophenyl)ethyl-methylamino]-1-(4-methoxyphenyl)-2-phenylethanone
SMILESCOc1ccc(C(=O)C(c2ccccc2)N(C)CCc2ccccc2I)cc1
InChIInChI=1S/C24H24INO2/c1-26(17-16-18-8-6-7-11-22(18)25)23(19-9-4-3-5-10-19)24(27)20-12-14-21(28-2)15-13-20/h3-15,23H,16-17H2,1-2H3
InChIKeyZHDJWVIJDLTYKO-UHFFFAOYSA-N
MW485.37 g/mol
LogP5.40
Rot. Bonds8

About 2-[2-(2-iodophenyl)ethyl-methylamino]-1-(4-methoxyphenyl)-2-phenylethanone

2-[2-(2-iodophenyl)ethyl-methylamino]-1-(4-methoxyphenyl)-2-phenylethanone (PubChem CID 101417674) has the molecular formula C24H24INO2 and a molecular weight of 485.37 g/mol. Its IUPAC name is 2-[2-(2-iodophenyl)ethyl-methylamino]-1-(4-methoxyphenyl)-2-phenylethanone.

Molecular Properties

Compound Name2-[2-(2-iodophenyl)ethyl-methylamino]-1-(4-methoxyphenyl)-2-phenylethanone
PubChem CID101417674
Molecular FormulaC24H24INO2
Molecular Weight485.37 g/mol
Exact Mass485.09
IUPAC Name2-[2-(2-iodophenyl)ethyl-methylamino]-1-(4-methoxyphenyl)-2-phenylethanone
SMILESCOc1ccc(C(=O)C(c2ccccc2)N(C)CCc2ccccc2I)cc1
InChIInChI=1S/C24H24INO2/c1-26(17-16-18-8-6-7-11-22(18)25)23(19-9-4-3-5-10-19)24(27)20-12-14-21(28-2)15-13-20/h3-15,23H,16-17H2,1-2H3
InChIKeyZHDJWVIJDLTYKO-UHFFFAOYSA-N
XLogP5.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.37
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(2-iodophenyl)ethyl-methylamino]-1-(4-methoxyphenyl)-2-phenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-iodophenyl)ethyl-methylamino]-1-(4-methoxyphenyl)-2-phenylethanone?
The IUPAC name of 2-[2-(2-iodophenyl)ethyl-methylamino]-1-(4-methoxyphenyl)-2-phenylethanone (CID 101417674) is 2-[2-(2-iodophenyl)ethyl-methylamino]-1-(4-methoxyphenyl)-2-phenylethanone.
What is the SMILES notation for 2-[2-(2-iodophenyl)ethyl-methylamino]-1-(4-methoxyphenyl)-2-phenylethanone?
The canonical SMILES for 2-[2-(2-iodophenyl)ethyl-methylamino]-1-(4-methoxyphenyl)-2-phenylethanone is COc1ccc(C(=O)C(c2ccccc2)N(C)CCc2ccccc2I)cc1.
What is the InChIKey of 2-[2-(2-iodophenyl)ethyl-methylamino]-1-(4-methoxyphenyl)-2-phenylethanone?
The InChIKey is ZHDJWVIJDLTYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24INO2/c1-26(17-16-18-8-6-7-11-22(18)25)23(19-9-4-3-5-10-19)24(27)20-12-14-21(28-2)15-13-20/h3-15,23H,16-17H2,1-2H3.
What are the key properties of 2-[2-(2-iodophenyl)ethyl-methylamino]-1-(4-methoxyphenyl)-2-phenylethanone?
2-[2-(2-iodophenyl)ethyl-methylamino]-1-(4-methoxyphenyl)-2-phenylethanone has a molecular weight of 485.37 g/mol, XLogP of 5.40, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-iodophenyl)ethyl-methylamino]-1-(4-methoxyphenyl)-2-phenylethanone is sourced from PubChem (CID 101417674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).