2-bromo-N-(4-chloro-2-iodophenyl)-2-methylpropanamide

C10H10BrClINO — CID 107624939

IUPAC2-bromo-N-(4-chloro-2-iodophenyl)-2-methylpropanamide
SMILESCC(C)(Br)C(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C10H10BrClINO/c1-10(2,11)9(15)14-8-4-3-6(12)5-7(8)13/h3-5H,1-2H3,(H,14,15)
InChIKeyZIQRXSXEEPVKPU-UHFFFAOYSA-N
MW402.46 g/mol
LogP4.06
Rot. Bonds2

About 2-bromo-N-(4-chloro-2-iodophenyl)-2-methylpropanamide

2-bromo-N-(4-chloro-2-iodophenyl)-2-methylpropanamide (PubChem CID 107624939) has the molecular formula C10H10BrClINO and a molecular weight of 402.46 g/mol. Its IUPAC name is 2-bromo-N-(4-chloro-2-iodophenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-(4-chloro-2-iodophenyl)-2-methylpropanamide
PubChem CID107624939
Molecular FormulaC10H10BrClINO
Molecular Weight402.46 g/mol
Exact Mass400.87
IUPAC Name2-bromo-N-(4-chloro-2-iodophenyl)-2-methylpropanamide
SMILESCC(C)(Br)C(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C10H10BrClINO/c1-10(2,11)9(15)14-8-4-3-6(12)5-7(8)13/h3-5H,1-2H3,(H,14,15)
InChIKeyZIQRXSXEEPVKPU-UHFFFAOYSA-N
XLogP4.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 54.06
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

2-amino-N-(4-chloro-2-iodophenyl)-2-methylpropanamide
CID 107625511
N-(4-chloro-2-iodophenyl)-2-methoxy-2-methylpropanamide
CID 103766777
4-tert-butyl-N-(4-chloro-2-iodophenyl)benzamide
CID 107640588
N-(4-chloro-2-iodophenyl)-2,2,3,3-tetrafluoropropanamide
CID 103766915
methyl N-(4-chloro-2-iodophenyl)carbamate
CID 103767047
2-bromo-N-(4-chloro-2-iodophenyl)propanamide
CID 107906024
2-bromo-N-(4-chloro-2-iodophenyl)acetamide
CID 107624932
2-chloro-N-(4-chloro-2-iodophenyl)propanamide
CID 103881715
1-amino-3-(4-chloro-2-iodophenyl)urea
CID 107629399
2-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-methylpropanamide
CID 107788653
5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide
CID 114030741
N-(4-chloro-2-iodophenyl)-2-sulfanylpropanamide
CID 107638389

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-chloro-2-iodophenyl)-2-methylpropanamide?
The IUPAC name of 2-bromo-N-(4-chloro-2-iodophenyl)-2-methylpropanamide (CID 107624939) is 2-bromo-N-(4-chloro-2-iodophenyl)-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-(4-chloro-2-iodophenyl)-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-(4-chloro-2-iodophenyl)-2-methylpropanamide is CC(C)(Br)C(=O)Nc1ccc(Cl)cc1I.
What is the InChIKey of 2-bromo-N-(4-chloro-2-iodophenyl)-2-methylpropanamide?
The InChIKey is ZIQRXSXEEPVKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClINO/c1-10(2,11)9(15)14-8-4-3-6(12)5-7(8)13/h3-5H,1-2H3,(H,14,15).
What are the key properties of 2-bromo-N-(4-chloro-2-iodophenyl)-2-methylpropanamide?
2-bromo-N-(4-chloro-2-iodophenyl)-2-methylpropanamide has a molecular weight of 402.46 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-chloro-2-iodophenyl)-2-methylpropanamide is sourced from PubChem (CID 107624939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).