(2R)-N-(3-cyanophenyl)-2-(3-iodophenoxy)propanamide

C16H13IN2O2 — CID 7694555

IUPAC(2R)-N-(3-cyanophenyl)-2-(3-iodophenoxy)propanamide
SMILESC[C@@H](Oc1cccc(I)c1)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C16H13IN2O2/c1-11(21-15-7-3-5-13(17)9-15)16(20)19-14-6-2-4-12(8-14)10-18/h2-9,11H,1H3,(H,19,20)/t11-/m1/s1
InChIKeyVOYTVWVQAZOZKJ-LLVKDONJSA-N
MW392.20 g/mol
LogP3.57
Rot. Bonds4

About (2R)-N-(3-cyanophenyl)-2-(3-iodophenoxy)propanamide

(2R)-N-(3-cyanophenyl)-2-(3-iodophenoxy)propanamide (PubChem CID 7694555) has the molecular formula C16H13IN2O2 and a molecular weight of 392.20 g/mol. Its IUPAC name is (2R)-N-(3-cyanophenyl)-2-(3-iodophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(3-cyanophenyl)-2-(3-iodophenoxy)propanamide
PubChem CID7694555
Molecular FormulaC16H13IN2O2
Molecular Weight392.20 g/mol
Exact Mass392.00
IUPAC Name(2R)-N-(3-cyanophenyl)-2-(3-iodophenoxy)propanamide
SMILESC[C@@H](Oc1cccc(I)c1)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C16H13IN2O2/c1-11(21-15-7-3-5-13(17)9-15)16(20)19-14-6-2-4-12(8-14)10-18/h2-9,11H,1H3,(H,19,20)/t11-/m1/s1
InChIKeyVOYTVWVQAZOZKJ-LLVKDONJSA-N
XLogP3.57
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.20
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-N-(3-cyanophenyl)-2-(3-iodophenoxy)propanamide 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-(4-cyanophenoxy)-N-(3-iodophenyl)propanamide
CID 78675814
(2S)-2-(4-acetamidophenoxy)-N-(3-cyanophenyl)propanamide
CID 7642457
(2R)-2-(3-cyanophenoxy)-N-(3-methoxyphenyl)propanamide
CID 7964267
2-(4-acetylphenoxy)-N-(3-cyanophenyl)propanamide
CID 17450699
(2S)-2-(3-cyanophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 7964261
2-(3-cyanophenoxy)-N-methylpropanamide
CID 43085589
(2S)-2-(3-chlorophenoxy)-N-(3-iodophenyl)propanamide
CID 1313423
(2R)-N-(3-cyanophenyl)-2-(4-phenylmethoxyphenoxy)propanamide
CID 7950503
2-(4-cyanophenoxy)-N-(3-methoxyphenyl)propanamide
CID 51140373
(2S)-N-(3-cyanophenyl)-2-(2-fluorophenoxy)propanamide
CID 7815212
N-(3-cyanophenyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 16529582
N-(3-cyanophenyl)-2-ethoxypropanamide
CID 43187565

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-cyanophenyl)-2-(3-iodophenoxy)propanamide?
The IUPAC name of (2R)-N-(3-cyanophenyl)-2-(3-iodophenoxy)propanamide (CID 7694555) is (2R)-N-(3-cyanophenyl)-2-(3-iodophenoxy)propanamide.
What is the SMILES notation for (2R)-N-(3-cyanophenyl)-2-(3-iodophenoxy)propanamide?
The canonical SMILES for (2R)-N-(3-cyanophenyl)-2-(3-iodophenoxy)propanamide is C[C@@H](Oc1cccc(I)c1)C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of (2R)-N-(3-cyanophenyl)-2-(3-iodophenoxy)propanamide?
The InChIKey is VOYTVWVQAZOZKJ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H13IN2O2/c1-11(21-15-7-3-5-13(17)9-15)16(20)19-14-6-2-4-12(8-14)10-18/h2-9,11H,1H3,(H,19,20)/t11-/m1/s1.
What are the key properties of (2R)-N-(3-cyanophenyl)-2-(3-iodophenoxy)propanamide?
(2R)-N-(3-cyanophenyl)-2-(3-iodophenoxy)propanamide has a molecular weight of 392.20 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-cyanophenyl)-2-(3-iodophenoxy)propanamide is sourced from PubChem (CID 7694555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).