N-(4-iodophenyl)-2-(3-propan-2-ylphenoxy)acetamide

C17H18INO2 — CID 19176026

IUPACN-(4-iodophenyl)-2-(3-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1cccc(OCC(=O)Nc2ccc(I)cc2)c1
InChIInChI=1S/C17H18INO2/c1-12(2)13-4-3-5-16(10-13)21-11-17(20)19-15-8-6-14(18)7-9-15/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyXTNFLYCSKQQPGE-UHFFFAOYSA-N
MW395.24 g/mol
LogP4.43
Rot. Bonds5

About N-(4-iodophenyl)-2-(3-propan-2-ylphenoxy)acetamide

N-(4-iodophenyl)-2-(3-propan-2-ylphenoxy)acetamide (PubChem CID 19176026) has the molecular formula C17H18INO2 and a molecular weight of 395.24 g/mol. Its IUPAC name is N-(4-iodophenyl)-2-(3-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-2-(3-propan-2-ylphenoxy)acetamide
PubChem CID19176026
Molecular FormulaC17H18INO2
Molecular Weight395.24 g/mol
Exact Mass395.04
IUPAC NameN-(4-iodophenyl)-2-(3-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1cccc(OCC(=O)Nc2ccc(I)cc2)c1
InChIInChI=1S/C17H18INO2/c1-12(2)13-4-3-5-16(10-13)21-11-17(20)19-15-8-6-14(18)7-9-15/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyXTNFLYCSKQQPGE-UHFFFAOYSA-N
XLogP4.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.24
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(1-hydroxyethyl)phenoxy]-N-(4-propan-2-ylphenyl)acetamide
CID 110884631
N-(3-acetylphenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 19175983
2-(3-aminophenoxy)-N-(3-propan-2-ylphenyl)acetamide
CID 61035869
2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(4-chlorophenyl)acetamide
CID 63367424
methyl 4-[[2-(3-iodophenoxy)acetyl]amino]benzoate
CID 7694499
N-[4-(morpholin-4-ylmethyl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 108730961
N-[2-(4-methylanilino)phenyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 108745039
N',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide
CID 116820828
N-[4-(methanesulfonamido)-3-methoxyphenyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 55639184
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-iodophenyl)acetamide
CID 1336727
2-(3,5-dimethylphenoxy)-N-(4-iodophenyl)acetamide
CID 2554425
N-(2-methyl-6-propan-2-ylphenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 19175939

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-2-(3-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(4-iodophenyl)-2-(3-propan-2-ylphenoxy)acetamide (CID 19176026) is N-(4-iodophenyl)-2-(3-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(4-iodophenyl)-2-(3-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(4-iodophenyl)-2-(3-propan-2-ylphenoxy)acetamide is CC(C)c1cccc(OCC(=O)Nc2ccc(I)cc2)c1.
What is the InChIKey of N-(4-iodophenyl)-2-(3-propan-2-ylphenoxy)acetamide?
The InChIKey is XTNFLYCSKQQPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18INO2/c1-12(2)13-4-3-5-16(10-13)21-11-17(20)19-15-8-6-14(18)7-9-15/h3-10,12H,11H2,1-2H3,(H,19,20).
What are the key properties of N-(4-iodophenyl)-2-(3-propan-2-ylphenoxy)acetamide?
N-(4-iodophenyl)-2-(3-propan-2-ylphenoxy)acetamide has a molecular weight of 395.24 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-2-(3-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 19176026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).