2-(4-cyanophenoxy)-N-(3-iodophenyl)propanamide

C16H13IN2O2 — CID 78675814

IUPAC2-(4-cyanophenoxy)-N-(3-iodophenyl)propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)Nc1cccc(I)c1
InChIInChI=1S/C16H13IN2O2/c1-11(21-15-7-5-12(10-18)6-8-15)16(20)19-14-4-2-3-13(17)9-14/h2-9,11H,1H3,(H,19,20)
InChIKeyWUXIBYISGXAVCI-UHFFFAOYSA-N
MW392.20 g/mol
LogP3.57
Rot. Bonds4

About 2-(4-cyanophenoxy)-N-(3-iodophenyl)propanamide

2-(4-cyanophenoxy)-N-(3-iodophenyl)propanamide (PubChem CID 78675814) has the molecular formula C16H13IN2O2 and a molecular weight of 392.20 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-(3-iodophenyl)propanamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-(3-iodophenyl)propanamide
PubChem CID78675814
Molecular FormulaC16H13IN2O2
Molecular Weight392.20 g/mol
Exact Mass392.00
IUPAC Name2-(4-cyanophenoxy)-N-(3-iodophenyl)propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)Nc1cccc(I)c1
InChIInChI=1S/C16H13IN2O2/c1-11(21-15-7-5-12(10-18)6-8-15)16(20)19-14-4-2-3-13(17)9-14/h2-9,11H,1H3,(H,19,20)
InChIKeyWUXIBYISGXAVCI-UHFFFAOYSA-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'}

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Related Compounds

(2R)-N-(3-cyanophenyl)-2-(3-iodophenoxy)propanamide
CID 7694555
2-(4-cyanophenoxy)-N-(3-methoxyphenyl)propanamide
CID 51140373
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
2-(4-cyanophenoxy)-N-[3-(hydroxymethyl)phenyl]propanamide
CID 110877125
(2S)-2-(4-acetylphenoxy)-N-(3-iodophenyl)propanamide
CID 26517522
(2R)-2-(4-cyanophenoxy)-N-(3-methylsulfonylphenyl)propanamide
CID 9072191
methyl N-[4-[1-(3-iodoanilino)-1-oxopropan-2-yl]oxyphenyl]carbamate
CID 60522538
(2S)-2-(4-acetamidophenoxy)-N-(3-cyanophenyl)propanamide
CID 7642457
(2S)-2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide
CID 9412867
2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide
CID 78762344
(2R)-2-(4-cyanophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 7818704
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-cyanophenoxy)propanamide
CID 24649964

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-(3-iodophenyl)propanamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-(3-iodophenyl)propanamide (CID 78675814) is 2-(4-cyanophenoxy)-N-(3-iodophenyl)propanamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-(3-iodophenyl)propanamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-(3-iodophenyl)propanamide is CC(Oc1ccc(C#N)cc1)C(=O)Nc1cccc(I)c1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-(3-iodophenyl)propanamide?
The InChIKey is WUXIBYISGXAVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13IN2O2/c1-11(21-15-7-5-12(10-18)6-8-15)16(20)19-14-4-2-3-13(17)9-14/h2-9,11H,1H3,(H,19,20).
What are the key properties of 2-(4-cyanophenoxy)-N-(3-iodophenyl)propanamide?
2-(4-cyanophenoxy)-N-(3-iodophenyl)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 2-(4-cyanophenoxy)-N-(3-iodophenyl)propanamide is sourced from PubChem (CID 78675814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).