N-(3-cyanophenyl)-3-(4-iodophenoxy)propanamide

C16H13IN2O2 — CID 43327324

IUPACN-(3-cyanophenyl)-3-(4-iodophenoxy)propanamide
SMILESN#Cc1cccc(NC(=O)CCOc2ccc(I)cc2)c1
InChIInChI=1S/C16H13IN2O2/c17-13-4-6-15(7-5-13)21-9-8-16(20)19-14-3-1-2-12(10-14)11-18/h1-7,10H,8-9H2,(H,19,20)
InChIKeyVLLWJXDQTBFMES-UHFFFAOYSA-N
MW392.20 g/mol
LogP3.57
Rot. Bonds5

About N-(3-cyanophenyl)-3-(4-iodophenoxy)propanamide

N-(3-cyanophenyl)-3-(4-iodophenoxy)propanamide (PubChem CID 43327324) has the molecular formula C16H13IN2O2 and a molecular weight of 392.20 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-(4-iodophenoxy)propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-(4-iodophenoxy)propanamide
PubChem CID43327324
Molecular FormulaC16H13IN2O2
Molecular Weight392.20 g/mol
Exact Mass392.00
IUPAC NameN-(3-cyanophenyl)-3-(4-iodophenoxy)propanamide
SMILESN#Cc1cccc(NC(=O)CCOc2ccc(I)cc2)c1
InChIInChI=1S/C16H13IN2O2/c17-13-4-6-15(7-5-13)21-9-8-16(20)19-14-3-1-2-12(10-14)11-18/h1-7,10H,8-9H2,(H,19,20)
InChIKeyVLLWJXDQTBFMES-UHFFFAOYSA-N
XLogP3.57
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

N-(3-cyanophenyl)-3-[methyl(2-phenoxyethyl)amino]propanamide
CID 33477524
[2-(3-cyanoanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 2095980
2-(3-cyanoanilino)-N-(4-iodophenyl)acetamide
CID 9101293
N-(3-cyanophenyl)-4-iodobenzamide
CID 875242
3-(4-aminophenoxy)-N-(4-iodophenyl)propanamide
CID 61094942
2-(4-bromophenoxy)ethyl-[2-(3-cyanoanilino)-2-oxoethyl]-methylazanium
CID 9288825
N-(3-cyanophenyl)-3-(1-phenylethoxy)propanamide
CID 43824378
N-(3-cyanophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
CID 80712090
2-(4-chlorophenoxy)ethyl-[2-(3-cyanoanilino)-2-oxoethyl]-methylazanium
CID 9252388
[3-(3-cyanoanilino)-3-oxopropyl]phosphonic acid
CID 125478329
N-(3-cyanophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 798498
3-(3-bromophenoxy)-N-(4-cyanophenyl)propanamide
CID 26687164

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-(4-iodophenoxy)propanamide?
The IUPAC name of N-(3-cyanophenyl)-3-(4-iodophenoxy)propanamide (CID 43327324) is N-(3-cyanophenyl)-3-(4-iodophenoxy)propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-(4-iodophenoxy)propanamide?
The canonical SMILES for N-(3-cyanophenyl)-3-(4-iodophenoxy)propanamide is N#Cc1cccc(NC(=O)CCOc2ccc(I)cc2)c1.
What is the InChIKey of N-(3-cyanophenyl)-3-(4-iodophenoxy)propanamide?
The InChIKey is VLLWJXDQTBFMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13IN2O2/c17-13-4-6-15(7-5-13)21-9-8-16(20)19-14-3-1-2-12(10-14)11-18/h1-7,10H,8-9H2,(H,19,20).
What are the key properties of N-(3-cyanophenyl)-3-(4-iodophenoxy)propanamide?
N-(3-cyanophenyl)-3-(4-iodophenoxy)propanamide has a molecular weight of 392.20 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-(4-iodophenoxy)propanamide is sourced from PubChem (CID 43327324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).