5-bromo-N-[2-(4-fluorophenoxy)ethyl]thiophene-3-carboxamide

C13H11BrFNO2S — CID 37360307

IUPAC5-bromo-N-[2-(4-fluorophenoxy)ethyl]thiophene-3-carboxamide
SMILESO=C(NCCOc1ccc(F)cc1)c1csc(Br)c1
InChIInChI=1S/C13H11BrFNO2S/c14-12-7-9(8-19-12)13(17)16-5-6-18-11-3-1-10(15)2-4-11/h1-4,7-8H,5-6H2,(H,16,17)
InChIKeyAEOZVQJGNPGKFY-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.46
Rot. Bonds5

About 5-bromo-N-[2-(4-fluorophenoxy)ethyl]thiophene-3-carboxamide

5-bromo-N-[2-(4-fluorophenoxy)ethyl]thiophene-3-carboxamide (PubChem CID 37360307) has the molecular formula C13H11BrFNO2S and a molecular weight of 344.21 g/mol. Its IUPAC name is 5-bromo-N-[2-(4-fluorophenoxy)ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(4-fluorophenoxy)ethyl]thiophene-3-carboxamide
PubChem CID37360307
Molecular FormulaC13H11BrFNO2S
Molecular Weight344.21 g/mol
Exact Mass342.97
IUPAC Name5-bromo-N-[2-(4-fluorophenoxy)ethyl]thiophene-3-carboxamide
SMILESO=C(NCCOc1ccc(F)cc1)c1csc(Br)c1
InChIInChI=1S/C13H11BrFNO2S/c14-12-7-9(8-19-12)13(17)16-5-6-18-11-3-1-10(15)2-4-11/h1-4,7-8H,5-6H2,(H,16,17)
InChIKeyAEOZVQJGNPGKFY-UHFFFAOYSA-N
XLogP3.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-difluoro-N-[2-(4-fluorophenoxy)ethyl]benzamide
CID 30349624
4-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761255
N-[3-(4-fluorophenoxy)propyl]pyridine-4-carboxamide
CID 47473376
N-[2-(4-aminophenoxy)ethyl]-3-fluorobenzamide
CID 39373072
N-[2-(4-chlorophenoxy)ethyl]-3-fluorobenzamide
CID 92748915
4-bromo-N-[4-(4-fluorophenoxy)butyl]-3,5-dimethoxybenzamide
CID 42572483
5-bromo-N-[2-[(4-methylbenzoyl)amino]ethyl]thiophene-3-carboxamide
CID 60964591
1-N,4-N-bis[2-(3-fluorophenoxy)ethyl]benzene-1,4-dicarboxamide
CID 166196673
3-bromo-N-[2-(3,4-difluorophenoxy)ethyl]benzamide
CID 113102457
N-(3-aminopropyl)-5-bromothiophene-3-carboxamide
CID 61249682
3-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 27173443
2-chloro-6-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzamide
CID 30865871

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(4-fluorophenoxy)ethyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-(4-fluorophenoxy)ethyl]thiophene-3-carboxamide (CID 37360307) is 5-bromo-N-[2-(4-fluorophenoxy)ethyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(4-fluorophenoxy)ethyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(4-fluorophenoxy)ethyl]thiophene-3-carboxamide is O=C(NCCOc1ccc(F)cc1)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-[2-(4-fluorophenoxy)ethyl]thiophene-3-carboxamide?
The InChIKey is AEOZVQJGNPGKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO2S/c14-12-7-9(8-19-12)13(17)16-5-6-18-11-3-1-10(15)2-4-11/h1-4,7-8H,5-6H2,(H,16,17).
What are the key properties of 5-bromo-N-[2-(4-fluorophenoxy)ethyl]thiophene-3-carboxamide?
5-bromo-N-[2-(4-fluorophenoxy)ethyl]thiophene-3-carboxamide has a molecular weight of 344.21 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(4-fluorophenoxy)ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 37360307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).