2-(4-bromo-2-formylphenoxy)-N-[2-(2-fluorophenyl)ethyl]acetamide

C17H15BrFNO3 — CID 9007038

IUPAC2-(4-bromo-2-formylphenoxy)-N-[2-(2-fluorophenyl)ethyl]acetamide
SMILESO=Cc1cc(Br)ccc1OCC(=O)NCCc1ccccc1F
InChIInChI=1S/C17H15BrFNO3/c18-14-5-6-16(13(9-14)10-21)23-11-17(22)20-8-7-12-3-1-2-4-15(12)19/h1-6,9-10H,7-8,11H2,(H,20,22)
InChIKeySHGNXRFFLNKOJM-UHFFFAOYSA-N
MW380.21 g/mol
LogP3.14
Rot. Bonds7

About 2-(4-bromo-2-formylphenoxy)-N-[2-(2-fluorophenyl)ethyl]acetamide

2-(4-bromo-2-formylphenoxy)-N-[2-(2-fluorophenyl)ethyl]acetamide (PubChem CID 9007038) has the molecular formula C17H15BrFNO3 and a molecular weight of 380.21 g/mol. Its IUPAC name is 2-(4-bromo-2-formylphenoxy)-N-[2-(2-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-formylphenoxy)-N-[2-(2-fluorophenyl)ethyl]acetamide
PubChem CID9007038
Molecular FormulaC17H15BrFNO3
Molecular Weight380.21 g/mol
Exact Mass379.02
IUPAC Name2-(4-bromo-2-formylphenoxy)-N-[2-(2-fluorophenyl)ethyl]acetamide
SMILESO=Cc1cc(Br)ccc1OCC(=O)NCCc1ccccc1F
InChIInChI=1S/C17H15BrFNO3/c18-14-5-6-16(13(9-14)10-21)23-11-17(22)20-8-7-12-3-1-2-4-15(12)19/h1-6,9-10H,7-8,11H2,(H,20,22)
InChIKeySHGNXRFFLNKOJM-UHFFFAOYSA-N
XLogP3.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.21
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-formylphenoxy)-N-[2-(2-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(4-bromo-2-formylphenoxy)-N-[2-(2-fluorophenyl)ethyl]acetamide (CID 9007038) is 2-(4-bromo-2-formylphenoxy)-N-[2-(2-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-formylphenoxy)-N-[2-(2-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-formylphenoxy)-N-[2-(2-fluorophenyl)ethyl]acetamide is O=Cc1cc(Br)ccc1OCC(=O)NCCc1ccccc1F.
What is the InChIKey of 2-(4-bromo-2-formylphenoxy)-N-[2-(2-fluorophenyl)ethyl]acetamide?
The InChIKey is SHGNXRFFLNKOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFNO3/c18-14-5-6-16(13(9-14)10-21)23-11-17(22)20-8-7-12-3-1-2-4-15(12)19/h1-6,9-10H,7-8,11H2,(H,20,22).
What are the key properties of 2-(4-bromo-2-formylphenoxy)-N-[2-(2-fluorophenyl)ethyl]acetamide?
2-(4-bromo-2-formylphenoxy)-N-[2-(2-fluorophenyl)ethyl]acetamide has a molecular weight of 380.21 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-formylphenoxy)-N-[2-(2-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 9007038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).