5-bromo-N-(2-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide

C16H11BrFNO2 — CID 2633992

IUPAC5-bromo-N-(2-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2F)oc2ccc(Br)cc12
InChIInChI=1S/C16H11BrFNO2/c1-9-11-8-10(17)6-7-14(11)21-15(9)16(20)19-13-5-3-2-4-12(13)18/h2-8H,1H3,(H,19,20)
InChIKeyLZNZJTQWILCOEB-UHFFFAOYSA-N
MW348.17 g/mol
LogP4.90
Rot. Bonds2

About 5-bromo-N-(2-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide

5-bromo-N-(2-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 2633992) has the molecular formula C16H11BrFNO2 and a molecular weight of 348.17 g/mol. Its IUPAC name is 5-bromo-N-(2-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID2633992
Molecular FormulaC16H11BrFNO2
Molecular Weight348.17 g/mol
Exact Mass347.00
IUPAC Name5-bromo-N-(2-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2F)oc2ccc(Br)cc12
InChIInChI=1S/C16H11BrFNO2/c1-9-11-8-10(17)6-7-14(11)21-15(9)16(20)19-13-5-3-2-4-12(13)18/h2-8H,1H3,(H,19,20)
InChIKeyLZNZJTQWILCOEB-UHFFFAOYSA-N
XLogP4.90
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.17
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetylphenyl)-1-benzofuran-2-carboxamide
CID 675185
N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 725640
N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 725663
N-(2-Benzoyl-3-benzofuranyl)acetamide
CID 616884
N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
CID 725651
5-bromo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide
CID 9982854
N-(2-methylphenyl)-1-benzofuran-2-carboxamide
CID 725660
N-phenyl-1-benzofuran-2-carboxamide
CID 725692
5-Bromo-3-{[(3,4-diethoxyphenyl)acetyl]amino}-1-benzofuran-2-carboxamide
CID 1267237
5-(4-bromophenyl)-N-(2-carbamoylphenyl)furan-2-carboxamide
CID 1997829
Methyl 2-[(1-benzofuran-2-ylcarbonyl)amino]benzoate
CID 678887
N-(3-methylphenyl)-1-benzofuran-2-carboxamide
CID 725661

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide (CID 2633992) is 5-bromo-N-(2-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccccc2F)oc2ccc(Br)cc12.
What is the InChIKey of 5-bromo-N-(2-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is LZNZJTQWILCOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFNO2/c1-9-11-8-10(17)6-7-14(11)21-15(9)16(20)19-13-5-3-2-4-12(13)18/h2-8H,1H3,(H,19,20).
What are the key properties of 5-bromo-N-(2-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide?
5-bromo-N-(2-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 348.17 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2633992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).