N-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide

C16H16INO3 — CID 2952531

IUPACN-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OC(C)C(=O)Nc2ccc(I)cc2)cc1
InChIInChI=1S/C16H16INO3/c1-11(21-15-9-7-14(20-2)8-10-15)16(19)18-13-5-3-12(17)4-6-13/h3-11H,1-2H3,(H,18,19)
InChIKeyOTYVYTRAYJQPRW-UHFFFAOYSA-N
MW397.21 g/mol
LogP3.71
Rot. Bonds5

About N-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide

N-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide (PubChem CID 2952531) has the molecular formula C16H16INO3 and a molecular weight of 397.21 g/mol. Its IUPAC name is N-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide
PubChem CID2952531
Molecular FormulaC16H16INO3
Molecular Weight397.21 g/mol
Exact Mass397.02
IUPAC NameN-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OC(C)C(=O)Nc2ccc(I)cc2)cc1
InChIInChI=1S/C16H16INO3/c1-11(21-15-9-7-14(20-2)8-10-15)16(19)18-13-5-3-12(17)4-6-13/h3-11H,1-2H3,(H,18,19)
InChIKeyOTYVYTRAYJQPRW-UHFFFAOYSA-N
XLogP3.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.21
LogP ≤ 53.71
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-(4-acetylphenyl)-2-(4-iodophenoxy)propanamide
CID 1222649
(2S)-2-(4-bromophenoxy)-N-(4-methoxyphenyl)propanamide
CID 7899999
N-(4-bromophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789595
2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 2951611
N-(4-chlorophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789590
4-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoic acid
CID 719424
4-[2-(4-methoxyphenoxy)propanoylamino]-N-(4-methoxyphenyl)benzamide
CID 55504736
4-[2-(4-methoxyphenoxy)propanoylamino]benzamide
CID 2952411
(2R)-N-(4-methoxyphenyl)-2-(4-methylsulfanylphenoxy)propanamide
CID 25435383
(2R)-N-(4-anilinophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2203307
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 2952537
N-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanamide
CID 4951720

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide?
The IUPAC name of N-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide (CID 2952531) is N-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for N-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide?
The canonical SMILES for N-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide is COc1ccc(OC(C)C(=O)Nc2ccc(I)cc2)cc1.
What is the InChIKey of N-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide?
The InChIKey is OTYVYTRAYJQPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16INO3/c1-11(21-15-9-7-14(20-2)8-10-15)16(19)18-13-5-3-12(17)4-6-13/h3-11H,1-2H3,(H,18,19).
What are the key properties of N-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide?
N-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide has a molecular weight of 397.21 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 2952531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).