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

C17H18INO2 — CID 7900625

IUPACN-(2-iodophenyl)-2-(2-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccccc1OCC(=O)Nc1ccccc1I
InChIInChI=1S/C17H18INO2/c1-12(2)13-7-3-6-10-16(13)21-11-17(20)19-15-9-5-4-8-14(15)18/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyGROKBKZUPCENGB-UHFFFAOYSA-N
MW395.24 g/mol
LogP4.43
Rot. Bonds5

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

N-(2-iodophenyl)-2-(2-propan-2-ylphenoxy)acetamide (PubChem CID 7900625) has the molecular formula C17H18INO2 and a molecular weight of 395.24 g/mol. Its IUPAC name is N-(2-iodophenyl)-2-(2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-2-(2-propan-2-ylphenoxy)acetamide
PubChem CID7900625
Molecular FormulaC17H18INO2
Molecular Weight395.24 g/mol
Exact Mass395.04
IUPAC NameN-(2-iodophenyl)-2-(2-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccccc1OCC(=O)Nc1ccccc1I
InChIInChI=1S/C17H18INO2/c1-12(2)13-7-3-6-10-16(13)21-11-17(20)19-15-9-5-4-8-14(15)18/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyGROKBKZUPCENGB-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-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 833595
2-(2-hydroxyphenoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 78781647
N-(2-phenylmethoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 17093436
methyl 2-[2-(2-iodoanilino)-2-oxoethoxy]benzoate
CID 7763964
2-(2-tert-butylphenoxy)-N-(2-iodophenyl)acetamide
CID 36678366
N-(2-iodophenyl)-2-propan-2-yloxyacetamide
CID 47416512
N-propan-2-yl-2-(2-propan-2-ylphenoxy)acetamide
CID 19168088
N-(2,6-dichlorophenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 54785981
N-(4-amino-2-methoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 54852575
N-(4-bromo-2,5-dimethoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 19170128
4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoic acid
CID 19165036
1-N',5-N'-bis[2-(2-propan-2-ylphenoxy)acetyl]pentanedihydrazide
CID 3554714

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-2-(2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(2-iodophenyl)-2-(2-propan-2-ylphenoxy)acetamide (CID 7900625) is N-(2-iodophenyl)-2-(2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(2-iodophenyl)-2-(2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(2-iodophenyl)-2-(2-propan-2-ylphenoxy)acetamide is CC(C)c1ccccc1OCC(=O)Nc1ccccc1I.
What is the InChIKey of N-(2-iodophenyl)-2-(2-propan-2-ylphenoxy)acetamide?
The InChIKey is GROKBKZUPCENGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18INO2/c1-12(2)13-7-3-6-10-16(13)21-11-17(20)19-15-9-5-4-8-14(15)18/h3-10,12H,11H2,1-2H3,(H,19,20).
What are the key properties of N-(2-iodophenyl)-2-(2-propan-2-ylphenoxy)acetamide?
N-(2-iodophenyl)-2-(2-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-(2-iodophenyl)-2-(2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 7900625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).