2-(3-bromo-5-iodophenoxy)-N-cyclobutylacetamide

C12H13BrINO2 — CID 175686803

IUPAC2-(3-bromo-5-iodophenoxy)-N-cyclobutylacetamide
SMILESO=C(COc1cc(Br)cc(I)c1)NC1CCC1
InChIInChI=1S/C12H13BrINO2/c13-8-4-9(14)6-11(5-8)17-7-12(16)15-10-2-1-3-10/h4-6,10H,1-3,7H2,(H,15,16)
InChIKeyFDTCQWXAJUKMJK-UHFFFAOYSA-N
MW410.05 g/mol
LogP3.10
Rot. Bonds4

About 2-(3-bromo-5-iodophenoxy)-N-cyclobutylacetamide

2-(3-bromo-5-iodophenoxy)-N-cyclobutylacetamide (PubChem CID 175686803) has the molecular formula C12H13BrINO2 and a molecular weight of 410.05 g/mol. Its IUPAC name is 2-(3-bromo-5-iodophenoxy)-N-cyclobutylacetamide.

Molecular Properties

Compound Name2-(3-bromo-5-iodophenoxy)-N-cyclobutylacetamide
PubChem CID175686803
Molecular FormulaC12H13BrINO2
Molecular Weight410.05 g/mol
Exact Mass408.92
IUPAC Name2-(3-bromo-5-iodophenoxy)-N-cyclobutylacetamide
SMILESO=C(COc1cc(Br)cc(I)c1)NC1CCC1
InChIInChI=1S/C12H13BrINO2/c13-8-4-9(14)6-11(5-8)17-7-12(16)15-10-2-1-3-10/h4-6,10H,1-3,7H2,(H,15,16)
InChIKeyFDTCQWXAJUKMJK-UHFFFAOYSA-N
XLogP3.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.05
LogP ≤ 53.10
H-Bond Donors ≤ 51
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 2-(3-bromo-5-iodophenoxy)-N-cyclobutylacetamide?
The IUPAC name of 2-(3-bromo-5-iodophenoxy)-N-cyclobutylacetamide (CID 175686803) is 2-(3-bromo-5-iodophenoxy)-N-cyclobutylacetamide.
What is the SMILES notation for 2-(3-bromo-5-iodophenoxy)-N-cyclobutylacetamide?
The canonical SMILES for 2-(3-bromo-5-iodophenoxy)-N-cyclobutylacetamide is O=C(COc1cc(Br)cc(I)c1)NC1CCC1.
What is the InChIKey of 2-(3-bromo-5-iodophenoxy)-N-cyclobutylacetamide?
The InChIKey is FDTCQWXAJUKMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrINO2/c13-8-4-9(14)6-11(5-8)17-7-12(16)15-10-2-1-3-10/h4-6,10H,1-3,7H2,(H,15,16).
What are the key properties of 2-(3-bromo-5-iodophenoxy)-N-cyclobutylacetamide?
2-(3-bromo-5-iodophenoxy)-N-cyclobutylacetamide has a molecular weight of 410.05 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-iodophenoxy)-N-cyclobutylacetamide is sourced from PubChem (CID 175686803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).