2-iodo-N-(2-propan-2-ylphenyl)acetamide

C11H14INO — CID 4198881

IUPAC2-iodo-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)CI
InChIInChI=1S/C11H14INO/c1-8(2)9-5-3-4-6-10(9)13-11(14)7-12/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKeyRCNXVLTXZLOANE-UHFFFAOYSA-N
MW303.14 g/mol
LogP3.18
Rot. Bonds3

About 2-iodo-N-(2-propan-2-ylphenyl)acetamide

2-iodo-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 4198881) has the molecular formula C11H14INO and a molecular weight of 303.14 g/mol. Its IUPAC name is 2-iodo-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-iodo-N-(2-propan-2-ylphenyl)acetamide
PubChem CID4198881
Molecular FormulaC11H14INO
Molecular Weight303.14 g/mol
Exact Mass303.01
IUPAC Name2-iodo-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)CI
InChIInChI=1S/C11H14INO/c1-8(2)9-5-3-4-6-10(9)13-11(14)7-12/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKeyRCNXVLTXZLOANE-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
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

N-(2-propan-2-ylphenyl)propanamide
CID 723442
1-N,2-N,3-N,4-N-tetrakis(2-propan-2-ylphenyl)butane-1,2,3,4-tetracarboxamide
CID 67992289
2-nitroso-N-(2-propan-2-ylphenyl)acetamide
CID 91475814
3-amino-N-(2-propan-2-ylphenyl)propanamide;hydrochloride
CID 71828995
4-amino-3-methyl-N-(2-propan-2-ylphenyl)butanamide
CID 81071847
4-amino-N-(2-propan-2-ylphenyl)pentanamide;hydrochloride
CID 120558713
2-methyl-5-oxo-5-(2-propan-2-ylanilino)pentanoic acid
CID 112517159
4-(methylamino)-N-(2-propan-2-ylphenyl)butanamide
CID 54924530
5-chloro-N-(2-propan-2-ylphenyl)pentanamide
CID 28727835
N-(2-propan-2-ylphenyl)-2-(propylamino)acetamide
CID 54818713
2-phenoxy-N-(2-propan-2-ylphenyl)acetamide
CID 723304
(2S)-2-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]propanoic acid
CID 83194689

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-iodo-N-(2-propan-2-ylphenyl)acetamide (CID 4198881) is 2-iodo-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-iodo-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-iodo-N-(2-propan-2-ylphenyl)acetamide is CC(C)c1ccccc1NC(=O)CI.
What is the InChIKey of 2-iodo-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is RCNXVLTXZLOANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO/c1-8(2)9-5-3-4-6-10(9)13-11(14)7-12/h3-6,8H,7H2,1-2H3,(H,13,14).
What are the key properties of 2-iodo-N-(2-propan-2-ylphenyl)acetamide?
2-iodo-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 303.14 g/mol, XLogP of 3.18, 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-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 4198881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).