N-(2-cyanoethyl)-2-(2-iodophenoxy)-N-phenylacetamide

C17H15IN2O2 — CID 38878091

IUPACN-(2-cyanoethyl)-2-(2-iodophenoxy)-N-phenylacetamide
SMILESN#CCCN(C(=O)COc1ccccc1I)c1ccccc1
InChIInChI=1S/C17H15IN2O2/c18-15-9-4-5-10-16(15)22-13-17(21)20(12-6-11-19)14-7-2-1-3-8-14/h1-5,7-10H,6,12-13H2
InChIKeyDZOKNYWVDNINGA-UHFFFAOYSA-N
MW406.22 g/mol
LogP3.62
Rot. Bonds6

About N-(2-cyanoethyl)-2-(2-iodophenoxy)-N-phenylacetamide

N-(2-cyanoethyl)-2-(2-iodophenoxy)-N-phenylacetamide (PubChem CID 38878091) has the molecular formula C17H15IN2O2 and a molecular weight of 406.22 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(2-iodophenoxy)-N-phenylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(2-iodophenoxy)-N-phenylacetamide
PubChem CID38878091
Molecular FormulaC17H15IN2O2
Molecular Weight406.22 g/mol
Exact Mass406.02
IUPAC NameN-(2-cyanoethyl)-2-(2-iodophenoxy)-N-phenylacetamide
SMILESN#CCCN(C(=O)COc1ccccc1I)c1ccccc1
InChIInChI=1S/C17H15IN2O2/c18-15-9-4-5-10-16(15)22-13-17(21)20(12-6-11-19)14-7-2-1-3-8-14/h1-5,7-10H,6,12-13H2
InChIKeyDZOKNYWVDNINGA-UHFFFAOYSA-N
XLogP3.62
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.22
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-cyanoethyl)-2-(2-iodophenoxy)-N-phenylacetamide 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-(2-bromophenoxy)-N-(2-cyanoethyl)-N-phenylacetamide
CID 38877607
N-(2-cyanoethyl)-2-[4-(4-fluorobenzoyl)phenoxy]-N-phenylacetamide
CID 46805536
methyl 4-[2-[N-(2-cyanoethyl)anilino]-2-oxoethoxy]benzoate
CID 51172550
2-chloro-N-(2-cyanoethyl)-N-phenylacetamide
CID 2404872
N-(2-cyanoethyl)-2-ethoxy-N-phenylbenzamide
CID 24694454
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-phenoxybenzoate
CID 2435467
N-(2-cyanoethyl)-4-[2-[2-(2-ethylphenoxy)acetyl]hydrazinyl]-4-oxo-N-phenylbutanamide
CID 56574815
2-(2-bromo-4-fluorophenoxy)-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide
CID 4844962
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 2353432
N-(2-cyanoethyl)-2-(4-fluorophenyl)-N-phenylacetamide
CID 24710774
N-(cyanomethyl)-2-(2-formylphenoxy)-N-phenylacetamide
CID 30834008
2-(4-bromo-2-fluorophenoxy)-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide
CID 2548228

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(2-iodophenoxy)-N-phenylacetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(2-iodophenoxy)-N-phenylacetamide (CID 38878091) is N-(2-cyanoethyl)-2-(2-iodophenoxy)-N-phenylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(2-iodophenoxy)-N-phenylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(2-iodophenoxy)-N-phenylacetamide is N#CCCN(C(=O)COc1ccccc1I)c1ccccc1.
What is the InChIKey of N-(2-cyanoethyl)-2-(2-iodophenoxy)-N-phenylacetamide?
The InChIKey is DZOKNYWVDNINGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15IN2O2/c18-15-9-4-5-10-16(15)22-13-17(21)20(12-6-11-19)14-7-2-1-3-8-14/h1-5,7-10H,6,12-13H2.
What are the key properties of N-(2-cyanoethyl)-2-(2-iodophenoxy)-N-phenylacetamide?
N-(2-cyanoethyl)-2-(2-iodophenoxy)-N-phenylacetamide has a molecular weight of 406.22 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(2-iodophenoxy)-N-phenylacetamide is sourced from PubChem (CID 38878091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).