3-(4-aminophenoxy)-N-(4-iodophenyl)propanamide

C15H15IN2O2 — CID 61094942

IUPAC3-(4-aminophenoxy)-N-(4-iodophenyl)propanamide
SMILESNc1ccc(OCCC(=O)Nc2ccc(I)cc2)cc1
InChIInChI=1S/C15H15IN2O2/c16-11-1-5-13(6-2-11)18-15(19)9-10-20-14-7-3-12(17)4-8-14/h1-8H,9-10,17H2,(H,18,19)
InChIKeyAERGQDUEISZCQY-UHFFFAOYSA-N
MW382.20 g/mol
LogP3.28
Rot. Bonds5

About 3-(4-aminophenoxy)-N-(4-iodophenyl)propanamide

3-(4-aminophenoxy)-N-(4-iodophenyl)propanamide (PubChem CID 61094942) has the molecular formula C15H15IN2O2 and a molecular weight of 382.20 g/mol. Its IUPAC name is 3-(4-aminophenoxy)-N-(4-iodophenyl)propanamide.

Molecular Properties

Compound Name3-(4-aminophenoxy)-N-(4-iodophenyl)propanamide
PubChem CID61094942
Molecular FormulaC15H15IN2O2
Molecular Weight382.20 g/mol
Exact Mass382.02
IUPAC Name3-(4-aminophenoxy)-N-(4-iodophenyl)propanamide
SMILESNc1ccc(OCCC(=O)Nc2ccc(I)cc2)cc1
InChIInChI=1S/C15H15IN2O2/c16-11-1-5-13(6-2-11)18-15(19)9-10-20-14-7-3-12(17)4-8-14/h1-8H,9-10,17H2,(H,18,19)
InChIKeyAERGQDUEISZCQY-UHFFFAOYSA-N
XLogP3.28
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.20
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-(4-aminophenoxy)-N-(3-hydroxy-4-methylphenyl)propanamide
CID 107699338
[2-(4-iodoanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 16535303
N,N'-bis(4-iodophenyl)butanediamide
CID 4250378
3-phenoxy-N-(4-phenoxyphenyl)propanamide
CID 108795457
3-(4-aminophenoxy)-N-pyridazin-3-ylpropanamide
CID 116786009
N-(3-cyanophenyl)-3-(4-iodophenoxy)propanamide
CID 43327324
N-(4-aminophenyl)-3-(3-bromo-5-fluorophenoxy)propanamide
CID 81314200
3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide
CID 43700453
3-(4-aminophenyl)-N-(4-hexoxyphenyl)propanamide
CID 54795325
N-(4-aminophenyl)-3-(2-ethoxyphenoxy)propanamide
CID 43825399
3-(4-aminophenoxy)-N-(2-bromophenyl)propanamide
CID 61090388
2-[4-[[2-(4-iodophenoxy)acetyl]amino]phenoxy]acetic acid
CID 1288987

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenoxy)-N-(4-iodophenyl)propanamide?
The IUPAC name of 3-(4-aminophenoxy)-N-(4-iodophenyl)propanamide (CID 61094942) is 3-(4-aminophenoxy)-N-(4-iodophenyl)propanamide.
What is the SMILES notation for 3-(4-aminophenoxy)-N-(4-iodophenyl)propanamide?
The canonical SMILES for 3-(4-aminophenoxy)-N-(4-iodophenyl)propanamide is Nc1ccc(OCCC(=O)Nc2ccc(I)cc2)cc1.
What is the InChIKey of 3-(4-aminophenoxy)-N-(4-iodophenyl)propanamide?
The InChIKey is AERGQDUEISZCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN2O2/c16-11-1-5-13(6-2-11)18-15(19)9-10-20-14-7-3-12(17)4-8-14/h1-8H,9-10,17H2,(H,18,19).
What are the key properties of 3-(4-aminophenoxy)-N-(4-iodophenyl)propanamide?
3-(4-aminophenoxy)-N-(4-iodophenyl)propanamide has a molecular weight of 382.20 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenoxy)-N-(4-iodophenyl)propanamide is sourced from PubChem (CID 61094942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).