6-bromo-N-[(2-fluorophenyl)methyl]-1-benzofuran-2-carboxamide

C16H11BrFNO2 — CID 84577117

IUPAC6-bromo-N-[(2-fluorophenyl)methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCc1ccccc1F)c1cc2ccc(Br)cc2o1
InChIInChI=1S/C16H11BrFNO2/c17-12-6-5-10-7-15(21-14(10)8-12)16(20)19-9-11-3-1-2-4-13(11)18/h1-8H,9H2,(H,19,20)
InChIKeyCBPMAQSHQLYVBC-UHFFFAOYSA-N
MW348.17 g/mol
LogP4.26
Rot. Bonds3

About 6-bromo-N-[(2-fluorophenyl)methyl]-1-benzofuran-2-carboxamide

6-bromo-N-[(2-fluorophenyl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 84577117) has the molecular formula C16H11BrFNO2 and a molecular weight of 348.17 g/mol. Its IUPAC name is 6-bromo-N-[(2-fluorophenyl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(2-fluorophenyl)methyl]-1-benzofuran-2-carboxamide
PubChem CID84577117
Molecular FormulaC16H11BrFNO2
Molecular Weight348.17 g/mol
Exact Mass347.00
IUPAC Name6-bromo-N-[(2-fluorophenyl)methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCc1ccccc1F)c1cc2ccc(Br)cc2o1
InChIInChI=1S/C16H11BrFNO2/c17-12-6-5-10-7-15(21-14(10)8-12)16(20)19-9-11-3-1-2-4-13(11)18/h1-8H,9H2,(H,19,20)
InChIKeyCBPMAQSHQLYVBC-UHFFFAOYSA-N
XLogP4.26
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.17
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-N-[2-(2-chlorophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 112529403
5-bromo-N-[(2-fluorophenyl)methyl]-2-hydroxybenzamide
CID 27163577
6-bromo-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
CID 112520679
N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 112529204
N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462
N-[(2-fluorophenyl)methyl]carbamoyl bromide
CID 115193660
5-bromo-2-fluoro-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 24694264
5-bromo-N-[(2-bromophenyl)methyl]-2-fluorobenzamide
CID 60739201
N-[(2-fluorophenyl)methyl]-2-naphthalen-2-ylacetamide
CID 8870478
6-bromo-N-(2,6-dichlorophenyl)-1-benzofuran-2-carboxamide
CID 112525306
N-(3-aminobutyl)-5-bromo-1-benzofuran-2-carboxamide;hydrochloride
CID 119494957
N-[(4-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)acetamide
CID 47250397

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(2-fluorophenyl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 6-bromo-N-[(2-fluorophenyl)methyl]-1-benzofuran-2-carboxamide (CID 84577117) is 6-bromo-N-[(2-fluorophenyl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[(2-fluorophenyl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-bromo-N-[(2-fluorophenyl)methyl]-1-benzofuran-2-carboxamide is O=C(NCc1ccccc1F)c1cc2ccc(Br)cc2o1.
What is the InChIKey of 6-bromo-N-[(2-fluorophenyl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is CBPMAQSHQLYVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFNO2/c17-12-6-5-10-7-15(21-14(10)8-12)16(20)19-9-11-3-1-2-4-13(11)18/h1-8H,9H2,(H,19,20).
What are the key properties of 6-bromo-N-[(2-fluorophenyl)methyl]-1-benzofuran-2-carboxamide?
6-bromo-N-[(2-fluorophenyl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 348.17 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(2-fluorophenyl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 84577117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).