2-iodo-N-(2-phenylpropan-2-yl)acetamide

C11H14INO — CID 119087378

IUPAC2-iodo-N-(2-phenylpropan-2-yl)acetamide
SMILESCC(C)(NC(=O)CI)c1ccccc1
InChIInChI=1S/C11H14INO/c1-11(2,13-10(14)8-12)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,13,14)
InChIKeyDJOXQQXCWDOTDO-UHFFFAOYSA-N
MW303.14 g/mol
LogP2.47
Rot. Bonds3

About 2-iodo-N-(2-phenylpropan-2-yl)acetamide

2-iodo-N-(2-phenylpropan-2-yl)acetamide (PubChem CID 119087378) has the molecular formula C11H14INO and a molecular weight of 303.14 g/mol. Its IUPAC name is 2-iodo-N-(2-phenylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-iodo-N-(2-phenylpropan-2-yl)acetamide
PubChem CID119087378
Molecular FormulaC11H14INO
Molecular Weight303.14 g/mol
Exact Mass303.01
IUPAC Name2-iodo-N-(2-phenylpropan-2-yl)acetamide
SMILESCC(C)(NC(=O)CI)c1ccccc1
InChIInChI=1S/C11H14INO/c1-11(2,13-10(14)8-12)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,13,14)
InChIKeyDJOXQQXCWDOTDO-UHFFFAOYSA-N
XLogP2.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(2-phenylpropan-2-yl)propanamide
CID 13142348
2-phenylpropan-2-ylcarbamic acid
CID 23445609
4-bromo-3,3-dimethyl-N-(2-phenylpropan-2-yl)butanamide
CID 14230778
2-(4-fluorophenyl)-N-(2-phenylpropan-2-yl)acetamide
CID 13118330
1-ethyl-3-(2-phenylpropan-2-yl)urea
CID 110490506
2-(3-chlorophenyl)-N-(2-phenylpropan-2-yl)acetamide
CID 13118326
2-ethyl-N-(2-phenylpropan-2-yl)butanamide
CID 13142331
2-iodo-N-(2-phenylpropan-2-yl)benzamide
CID 47444713
2-(3,4-dimethoxyphenyl)-N-(2-phenylpropan-2-yl)acetamide
CID 113091742
(Z)-N-(2-phenylpropan-2-yl)octadec-9-enamide
CID 174358193
methyl 2-(2-phenylpropan-2-ylcarbamoylamino)acetate
CID 110490508
N-(2-phenylpropan-2-yl)octadec-9-enamide;hydrochloride
CID 173172473

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(2-phenylpropan-2-yl)acetamide?
The IUPAC name of 2-iodo-N-(2-phenylpropan-2-yl)acetamide (CID 119087378) is 2-iodo-N-(2-phenylpropan-2-yl)acetamide.
What is the SMILES notation for 2-iodo-N-(2-phenylpropan-2-yl)acetamide?
The canonical SMILES for 2-iodo-N-(2-phenylpropan-2-yl)acetamide is CC(C)(NC(=O)CI)c1ccccc1.
What is the InChIKey of 2-iodo-N-(2-phenylpropan-2-yl)acetamide?
The InChIKey is DJOXQQXCWDOTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO/c1-11(2,13-10(14)8-12)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,13,14).
What are the key properties of 2-iodo-N-(2-phenylpropan-2-yl)acetamide?
2-iodo-N-(2-phenylpropan-2-yl)acetamide has a molecular weight of 303.14 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(2-phenylpropan-2-yl)acetamide is sourced from PubChem (CID 119087378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).