N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-fluorobenzamide

C16H13BrFNO2 — CID 104702761

IUPACN-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-fluorobenzamide
SMILESO=C(NCc1cc(Br)cc2c1OCC2)c1cccc(F)c1
InChIInChI=1S/C16H13BrFNO2/c17-13-6-10-4-5-21-15(10)12(7-13)9-19-16(20)11-2-1-3-14(18)8-11/h1-3,6-8H,4-5,9H2,(H,19,20)
InChIKeySDVGLPVUQQFUJB-UHFFFAOYSA-N
MW350.19 g/mol
LogP3.45
Rot. Bonds3

About N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-fluorobenzamide

N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-fluorobenzamide (PubChem CID 104702761) has the molecular formula C16H13BrFNO2 and a molecular weight of 350.19 g/mol. Its IUPAC name is N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-fluorobenzamide
PubChem CID104702761
Molecular FormulaC16H13BrFNO2
Molecular Weight350.19 g/mol
Exact Mass349.01
IUPAC NameN-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-fluorobenzamide
SMILESO=C(NCc1cc(Br)cc2c1OCC2)c1cccc(F)c1
InChIInChI=1S/C16H13BrFNO2/c17-13-6-10-4-5-21-15(10)12(7-13)9-19-16(20)11-2-1-3-14(18)8-11/h1-3,6-8H,4-5,9H2,(H,19,20)
InChIKeySDVGLPVUQQFUJB-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-hydroxybenzamide
CID 104702882
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]thiophene-3-carboxamide
CID 104702853
6-amino-N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]pyridine-3-carboxamide
CID 104703479
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methylpyridine-3-carboxamide
CID 104702776
3-bromo-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide
CID 113095277
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-chloropyridine-4-carboxamide
CID 104702780
3-amino-N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]thiophene-2-carboxamide
CID 104701971
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-pyridin-2-ylacetamide
CID 104702827
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-5-chloropyridine-2-carboxamide
CID 104702838
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2-bromo-6-fluorophenyl)ethanone
CID 114885477
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 104702888
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrazine-2-carboxamide
CID 104773207

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-fluorobenzamide?
The IUPAC name of N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-fluorobenzamide (CID 104702761) is N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-fluorobenzamide.
What is the SMILES notation for N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-fluorobenzamide?
The canonical SMILES for N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-fluorobenzamide is O=C(NCc1cc(Br)cc2c1OCC2)c1cccc(F)c1.
What is the InChIKey of N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-fluorobenzamide?
The InChIKey is SDVGLPVUQQFUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFNO2/c17-13-6-10-4-5-21-15(10)12(7-13)9-19-16(20)11-2-1-3-14(18)8-11/h1-3,6-8H,4-5,9H2,(H,19,20).
What are the key properties of N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-fluorobenzamide?
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-fluorobenzamide has a molecular weight of 350.19 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-fluorobenzamide is sourced from PubChem (CID 104702761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).