N-(4-bromo-2-iodophenyl)-2-(4-tert-butylphenoxy)acetamide

C18H19BrINO2 — CID 3872466

IUPACN-(4-bromo-2-iodophenyl)-2-(4-tert-butylphenoxy)acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2ccc(Br)cc2I)cc1
InChIInChI=1S/C18H19BrINO2/c1-18(2,3)12-4-7-14(8-5-12)23-11-17(22)21-16-9-6-13(19)10-15(16)20/h4-10H,11H2,1-3H3,(H,21,22)
InChIKeyRRDBKEYTRFQXPU-UHFFFAOYSA-N
MW488.16 g/mol
LogP5.37
Rot. Bonds4

About N-(4-bromo-2-iodophenyl)-2-(4-tert-butylphenoxy)acetamide

N-(4-bromo-2-iodophenyl)-2-(4-tert-butylphenoxy)acetamide (PubChem CID 3872466) has the molecular formula C18H19BrINO2 and a molecular weight of 488.16 g/mol. Its IUPAC name is N-(4-bromo-2-iodophenyl)-2-(4-tert-butylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-iodophenyl)-2-(4-tert-butylphenoxy)acetamide
PubChem CID3872466
Molecular FormulaC18H19BrINO2
Molecular Weight488.16 g/mol
Exact Mass486.96
IUPAC NameN-(4-bromo-2-iodophenyl)-2-(4-tert-butylphenoxy)acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2ccc(Br)cc2I)cc1
InChIInChI=1S/C18H19BrINO2/c1-18(2,3)12-4-7-14(8-5-12)23-11-17(22)21-16-9-6-13(19)10-15(16)20/h4-10H,11H2,1-3H3,(H,21,22)
InChIKeyRRDBKEYTRFQXPU-UHFFFAOYSA-N
XLogP5.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.16
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-2-iodophenyl)-2-(4-bromophenoxy)acetamide
CID 3967654
N-(4-bromo-2-iodophenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 3608675
N-(4-bromo-2-iodophenyl)-2-(4-cyclohexylphenoxy)acetamide
CID 3925742
2-(4-tert-butylphenoxy)-N-(2-fluoro-4-iodophenyl)acetamide
CID 2979931
N-(4-bromo-2-fluorophenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 53267565
2-(4-tert-butylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 3380157
2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 874144
5-bromo-2-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]benzoic acid
CID 4514200
N-(2-amino-4-chlorophenyl)-2-(4-tert-butylphenoxy)acetamide
CID 91688991
N-(4-bromo-2-iodophenyl)-4-propoxybenzamide
CID 3888317
N-(4-bromo-2-methylphenyl)-2-(4-ethoxyphenoxy)acetamide
CID 7613552
N-(2-amino-4-ethoxyphenyl)-2-(4-tert-butylphenoxy)acetamide
CID 91689000

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-iodophenyl)-2-(4-tert-butylphenoxy)acetamide?
The IUPAC name of N-(4-bromo-2-iodophenyl)-2-(4-tert-butylphenoxy)acetamide (CID 3872466) is N-(4-bromo-2-iodophenyl)-2-(4-tert-butylphenoxy)acetamide.
What is the SMILES notation for N-(4-bromo-2-iodophenyl)-2-(4-tert-butylphenoxy)acetamide?
The canonical SMILES for N-(4-bromo-2-iodophenyl)-2-(4-tert-butylphenoxy)acetamide is CC(C)(C)c1ccc(OCC(=O)Nc2ccc(Br)cc2I)cc1.
What is the InChIKey of N-(4-bromo-2-iodophenyl)-2-(4-tert-butylphenoxy)acetamide?
The InChIKey is RRDBKEYTRFQXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrINO2/c1-18(2,3)12-4-7-14(8-5-12)23-11-17(22)21-16-9-6-13(19)10-15(16)20/h4-10H,11H2,1-3H3,(H,21,22).
What are the key properties of N-(4-bromo-2-iodophenyl)-2-(4-tert-butylphenoxy)acetamide?
N-(4-bromo-2-iodophenyl)-2-(4-tert-butylphenoxy)acetamide has a molecular weight of 488.16 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-iodophenyl)-2-(4-tert-butylphenoxy)acetamide is sourced from PubChem (CID 3872466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).