N-(3-bromo-2-iodophenyl)-2-hydroxy-2-methylpropanamide

C10H11BrINO2 — CID 46915281

IUPACN-(3-bromo-2-iodophenyl)-2-hydroxy-2-methylpropanamide
SMILESCC(C)(O)C(=O)Nc1cccc(Br)c1I
InChIInChI=1S/C10H11BrINO2/c1-10(2,15)9(14)13-7-5-3-4-6(11)8(7)12/h3-5,15H,1-2H3,(H,13,14)
InChIKeyKSERZFAKYWFQII-UHFFFAOYSA-N
MW384.01 g/mol
LogP2.76
Rot. Bonds2

About N-(3-bromo-2-iodophenyl)-2-hydroxy-2-methylpropanamide

N-(3-bromo-2-iodophenyl)-2-hydroxy-2-methylpropanamide (PubChem CID 46915281) has the molecular formula C10H11BrINO2 and a molecular weight of 384.01 g/mol. Its IUPAC name is N-(3-bromo-2-iodophenyl)-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-bromo-2-iodophenyl)-2-hydroxy-2-methylpropanamide
PubChem CID46915281
Molecular FormulaC10H11BrINO2
Molecular Weight384.01 g/mol
Exact Mass382.90
IUPAC NameN-(3-bromo-2-iodophenyl)-2-hydroxy-2-methylpropanamide
SMILESCC(C)(O)C(=O)Nc1cccc(Br)c1I
InChIInChI=1S/C10H11BrINO2/c1-10(2,15)9(14)13-7-5-3-4-6(11)8(7)12/h3-5,15H,1-2H3,(H,13,14)
InChIKeyKSERZFAKYWFQII-UHFFFAOYSA-N
XLogP2.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.01
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-iodophenyl)-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-(3-bromo-2-iodophenyl)-2-hydroxy-2-methylpropanamide (CID 46915281) is N-(3-bromo-2-iodophenyl)-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-(3-bromo-2-iodophenyl)-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-(3-bromo-2-iodophenyl)-2-hydroxy-2-methylpropanamide is CC(C)(O)C(=O)Nc1cccc(Br)c1I.
What is the InChIKey of N-(3-bromo-2-iodophenyl)-2-hydroxy-2-methylpropanamide?
The InChIKey is KSERZFAKYWFQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrINO2/c1-10(2,15)9(14)13-7-5-3-4-6(11)8(7)12/h3-5,15H,1-2H3,(H,13,14).
What are the key properties of N-(3-bromo-2-iodophenyl)-2-hydroxy-2-methylpropanamide?
N-(3-bromo-2-iodophenyl)-2-hydroxy-2-methylpropanamide has a molecular weight of 384.01 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-iodophenyl)-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 46915281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).