N-(2-iodo-4-methylphenyl)-2,2-dimethylpropanamide

C12H16INO — CID 532037

IUPACN-(2-iodo-4-methylphenyl)-2,2-dimethylpropanamide
SMILESCc1ccc(NC(=O)C(C)(C)C)c(I)c1
InChIInChI=1S/C12H16INO/c1-8-5-6-10(9(13)7-8)14-11(15)12(2,3)4/h5-7H,1-4H3,(H,14,15)
InChIKeyBGEQNDMAJXNQSN-UHFFFAOYSA-N
MW317.17 g/mol
LogP3.58
Rot. Bonds1

About N-(2-iodo-4-methylphenyl)-2,2-dimethylpropanamide

N-(2-iodo-4-methylphenyl)-2,2-dimethylpropanamide (PubChem CID 532037) has the molecular formula C12H16INO and a molecular weight of 317.17 g/mol. Its IUPAC name is N-(2-iodo-4-methylphenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2-iodo-4-methylphenyl)-2,2-dimethylpropanamide
PubChem CID532037
Molecular FormulaC12H16INO
Molecular Weight317.17 g/mol
Exact Mass317.03
IUPAC NameN-(2-iodo-4-methylphenyl)-2,2-dimethylpropanamide
SMILESCc1ccc(NC(=O)C(C)(C)C)c(I)c1
InChIInChI=1S/C12H16INO/c1-8-5-6-10(9(13)7-8)14-11(15)12(2,3)4/h5-7H,1-4H3,(H,14,15)
InChIKeyBGEQNDMAJXNQSN-UHFFFAOYSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluoro-4-methylphenyl)-2,2-dimethylpropanamide
CID 24898894
4-fluoro-N-(2-iodo-4-methylphenyl)benzamide
CID 531959
(2-iodo-4-methylphenyl)thiourea
CID 44622934
prop-2-enyl N-(2-iodo-4-methylphenyl)carbamate
CID 6426310
2-bromo-N-(4-chloro-2-iodophenyl)-2-methylpropanamide
CID 107624939
N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-2,2-dimethylpropanamide
CID 55025099
4-cyano-N-(2-iodo-4-methylphenyl)benzamide
CID 53308928
2-amino-N-(4-chloro-2-iodophenyl)-2-methylpropanamide
CID 107625511
N-(2-fluoro-4-methylphenyl)-2-methyl-2-(methylamino)propanamide
CID 62835057
N-[6-(2,4-dimethylanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113046202
N-(4-chloro-2-iodophenyl)-2-methoxy-2-methylpropanamide
CID 103766777
tert-butyl N-(2-iodo-5-methylphenyl)carbamate
CID 121003345

Frequently Asked Questions

What is the IUPAC name of N-(2-iodo-4-methylphenyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(2-iodo-4-methylphenyl)-2,2-dimethylpropanamide (CID 532037) is N-(2-iodo-4-methylphenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2-iodo-4-methylphenyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(2-iodo-4-methylphenyl)-2,2-dimethylpropanamide is Cc1ccc(NC(=O)C(C)(C)C)c(I)c1.
What is the InChIKey of N-(2-iodo-4-methylphenyl)-2,2-dimethylpropanamide?
The InChIKey is BGEQNDMAJXNQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INO/c1-8-5-6-10(9(13)7-8)14-11(15)12(2,3)4/h5-7H,1-4H3,(H,14,15).
What are the key properties of N-(2-iodo-4-methylphenyl)-2,2-dimethylpropanamide?
N-(2-iodo-4-methylphenyl)-2,2-dimethylpropanamide has a molecular weight of 317.17 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodo-4-methylphenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 532037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).