4-bromo-N-[2-(4-fluorophenyl)ethyl]-1-benzofuran-2-carboxamide

C17H13BrFNO2 — CID 112529086

IUPAC4-bromo-N-[2-(4-fluorophenyl)ethyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1cc2c(Br)cccc2o1
InChIInChI=1S/C17H13BrFNO2/c18-14-2-1-3-15-13(14)10-16(22-15)17(21)20-9-8-11-4-6-12(19)7-5-11/h1-7,10H,8-9H2,(H,20,21)
InChIKeyNUZKHYPAMIQOPX-UHFFFAOYSA-N
MW362.20 g/mol
LogP4.31
Rot. Bonds4

About 4-bromo-N-[2-(4-fluorophenyl)ethyl]-1-benzofuran-2-carboxamide

4-bromo-N-[2-(4-fluorophenyl)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 112529086) has the molecular formula C17H13BrFNO2 and a molecular weight of 362.20 g/mol. Its IUPAC name is 4-bromo-N-[2-(4-fluorophenyl)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[2-(4-fluorophenyl)ethyl]-1-benzofuran-2-carboxamide
PubChem CID112529086
Molecular FormulaC17H13BrFNO2
Molecular Weight362.20 g/mol
Exact Mass361.01
IUPAC Name4-bromo-N-[2-(4-fluorophenyl)ethyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1cc2c(Br)cccc2o1
InChIInChI=1S/C17H13BrFNO2/c18-14-2-1-3-15-13(14)10-16(22-15)17(21)20-9-8-11-4-6-12(19)7-5-11/h1-7,10H,8-9H2,(H,20,21)
InChIKeyNUZKHYPAMIQOPX-UHFFFAOYSA-N
XLogP4.31
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.20
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 112529138
4-bromo-N-(3-formamidopropyl)-1-benzofuran-2-carboxamide
CID 84577585
4-bromo-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide
CID 84577804
7-bromo-N-[2-(3-fluorophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 38930964
N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 112529204
2-bromo-5-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 9210550
N-[2-(4-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 17172904
4-bromo-3-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 47421922
N-[2-(4-fluorophenyl)ethyl]-2-oxochromene-3-carboxamide
CID 1244317
4-bromo-N-[2-(4-fluorophenyl)ethyl]-3-hydroxybenzamide
CID 103830357
6-fluoro-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 115496649
N-[2-(3-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 18118749

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(4-fluorophenyl)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 4-bromo-N-[2-(4-fluorophenyl)ethyl]-1-benzofuran-2-carboxamide (CID 112529086) is 4-bromo-N-[2-(4-fluorophenyl)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[2-(4-fluorophenyl)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 4-bromo-N-[2-(4-fluorophenyl)ethyl]-1-benzofuran-2-carboxamide is O=C(NCCc1ccc(F)cc1)c1cc2c(Br)cccc2o1.
What is the InChIKey of 4-bromo-N-[2-(4-fluorophenyl)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is NUZKHYPAMIQOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFNO2/c18-14-2-1-3-15-13(14)10-16(22-15)17(21)20-9-8-11-4-6-12(19)7-5-11/h1-7,10H,8-9H2,(H,20,21).
What are the key properties of 4-bromo-N-[2-(4-fluorophenyl)ethyl]-1-benzofuran-2-carboxamide?
4-bromo-N-[2-(4-fluorophenyl)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 362.20 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(4-fluorophenyl)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 112529086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).