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

C20H14BrFN2O2 — CID 58486668

IUPACN-[5-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(-c2cc(Br)c3c(c2)CCO3)cn1)c1ccccc1F
InChIInChI=1S/C20H14BrFN2O2/c21-16-10-14(9-12-7-8-26-19(12)16)13-5-6-18(23-11-13)24-20(25)15-3-1-2-4-17(15)22/h1-6,9-11H,7-8H2,(H,23,24,25)
InChIKeyFLHPJGAKXRDOHL-UHFFFAOYSA-N
MW413.25 g/mol
LogP4.84
Rot. Bonds3

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

N-[5-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-fluorobenzamide (PubChem CID 58486668) has the molecular formula C20H14BrFN2O2 and a molecular weight of 413.25 g/mol. Its IUPAC name is N-[5-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[5-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-fluorobenzamide
PubChem CID58486668
Molecular FormulaC20H14BrFN2O2
Molecular Weight413.25 g/mol
Exact Mass412.02
IUPAC NameN-[5-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(-c2cc(Br)c3c(c2)CCO3)cn1)c1ccccc1F
InChIInChI=1S/C20H14BrFN2O2/c21-16-10-14(9-12-7-8-26-19(12)16)13-5-6-18(23-11-13)24-20(25)15-3-1-2-4-17(15)22/h1-6,9-11H,7-8H2,(H,23,24,25)
InChIKeyFLHPJGAKXRDOHL-UHFFFAOYSA-N
XLogP4.84
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.25
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-fluorobenzamide?
The IUPAC name of N-[5-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-fluorobenzamide (CID 58486668) is N-[5-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-fluorobenzamide.
What is the SMILES notation for N-[5-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-fluorobenzamide?
The canonical SMILES for N-[5-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-fluorobenzamide is O=C(Nc1ccc(-c2cc(Br)c3c(c2)CCO3)cn1)c1ccccc1F.
What is the InChIKey of N-[5-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-fluorobenzamide?
The InChIKey is FLHPJGAKXRDOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrFN2O2/c21-16-10-14(9-12-7-8-26-19(12)16)13-5-6-18(23-11-13)24-20(25)15-3-1-2-4-17(15)22/h1-6,9-11H,7-8H2,(H,23,24,25).
What are the key properties of N-[5-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-fluorobenzamide?
N-[5-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-fluorobenzamide has a molecular weight of 413.25 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-fluorobenzamide is sourced from PubChem (CID 58486668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).