2-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-fluorobenzamide

C16H13BrFNO2 — CID 115678361

IUPAC2-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-fluorobenzamide
SMILESO=C(NCC1Cc2ccccc2O1)c1c(F)cccc1Br
InChIInChI=1S/C16H13BrFNO2/c17-12-5-3-6-13(18)15(12)16(20)19-9-11-8-10-4-1-2-7-14(10)21-11/h1-7,11H,8-9H2,(H,19,20)
InChIKeyRRZVDXAISFCSLM-UHFFFAOYSA-N
MW350.19 g/mol
LogP3.32
Rot. Bonds3

About 2-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-fluorobenzamide

2-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-fluorobenzamide (PubChem CID 115678361) has the molecular formula C16H13BrFNO2 and a molecular weight of 350.19 g/mol. Its IUPAC name is 2-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-fluorobenzamide
PubChem CID115678361
Molecular FormulaC16H13BrFNO2
Molecular Weight350.19 g/mol
Exact Mass349.01
IUPAC Name2-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-fluorobenzamide
SMILESO=C(NCC1Cc2ccccc2O1)c1c(F)cccc1Br
InChIInChI=1S/C16H13BrFNO2/c17-12-5-3-6-13(18)15(12)16(20)19-9-11-8-10-4-1-2-7-14(10)21-11/h1-7,11H,8-9H2,(H,19,20)
InChIKeyRRZVDXAISFCSLM-UHFFFAOYSA-N
XLogP3.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.19
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-fluoro-3-methylbenzamide
CID 80710892
3,5-dibromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 107980334
2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-6-fluorobenzoic acid
CID 79517954
5-bromo-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide
CID 39237368
2-amino-5-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 61140365
5-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)furan-2-carboxamide
CID 46400999
2-bromo-N-(cyclopentylmethyl)-6-fluorobenzamide
CID 115678359
4-bromo-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1H-pyrrole-2-carboxamide
CID 51891597
N-[[(2S)-5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-difluorobenzamide
CID 92757743
3-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylbenzamide
CID 104852428
2-amino-5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-3-carboxamide
CID 62232676
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-oxopropanoic acid
CID 62229922

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-fluorobenzamide?
The IUPAC name of 2-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-fluorobenzamide (CID 115678361) is 2-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-fluorobenzamide is O=C(NCC1Cc2ccccc2O1)c1c(F)cccc1Br.
What is the InChIKey of 2-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-fluorobenzamide?
The InChIKey is RRZVDXAISFCSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFNO2/c17-12-5-3-6-13(18)15(12)16(20)19-9-11-8-10-4-1-2-7-14(10)21-11/h1-7,11H,8-9H2,(H,19,20).
What are the key properties of 2-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-fluorobenzamide?
2-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-fluorobenzamide has a molecular weight of 350.19 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-fluorobenzamide is sourced from PubChem (CID 115678361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).