N-[5-(6-bromo-2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2,6-difluorobenzamide

C20H13BrF2N2O2 — CID 58486905

IUPACN-[5-(6-bromo-2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2,6-difluorobenzamide
SMILESO=C(Nc1ccc(-c2cc3c(cc2Br)OCC3)cn1)c1c(F)cccc1F
InChIInChI=1S/C20H13BrF2N2O2/c21-14-9-17-11(6-7-27-17)8-13(14)12-4-5-18(24-10-12)25-20(26)19-15(22)2-1-3-16(19)23/h1-5,8-10H,6-7H2,(H,24,25,26)
InChIKeyUBFHIQCIWUMGOY-UHFFFAOYSA-N
MW431.24 g/mol
LogP4.98
Rot. Bonds3

About N-[5-(6-bromo-2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2,6-difluorobenzamide

N-[5-(6-bromo-2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2,6-difluorobenzamide (PubChem CID 58486905) has the molecular formula C20H13BrF2N2O2 and a molecular weight of 431.24 g/mol. Its IUPAC name is N-[5-(6-bromo-2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[5-(6-bromo-2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2,6-difluorobenzamide
PubChem CID58486905
Molecular FormulaC20H13BrF2N2O2
Molecular Weight431.24 g/mol
Exact Mass430.01
IUPAC NameN-[5-(6-bromo-2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2,6-difluorobenzamide
SMILESO=C(Nc1ccc(-c2cc3c(cc2Br)OCC3)cn1)c1c(F)cccc1F
InChIInChI=1S/C20H13BrF2N2O2/c21-14-9-17-11(6-7-27-17)8-13(14)12-4-5-18(24-10-12)25-20(26)19-15(22)2-1-3-16(19)23/h1-5,8-10H,6-7H2,(H,24,25,26)
InChIKeyUBFHIQCIWUMGOY-UHFFFAOYSA-N
XLogP4.98
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.24
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(6-bromo-2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2,6-difluorobenzamide?
The IUPAC name of N-[5-(6-bromo-2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2,6-difluorobenzamide (CID 58486905) is N-[5-(6-bromo-2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[5-(6-bromo-2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[5-(6-bromo-2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2,6-difluorobenzamide is O=C(Nc1ccc(-c2cc3c(cc2Br)OCC3)cn1)c1c(F)cccc1F.
What is the InChIKey of N-[5-(6-bromo-2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2,6-difluorobenzamide?
The InChIKey is UBFHIQCIWUMGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrF2N2O2/c21-14-9-17-11(6-7-27-17)8-13(14)12-4-5-18(24-10-12)25-20(26)19-15(22)2-1-3-16(19)23/h1-5,8-10H,6-7H2,(H,24,25,26).
What are the key properties of N-[5-(6-bromo-2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2,6-difluorobenzamide?
N-[5-(6-bromo-2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2,6-difluorobenzamide has a molecular weight of 431.24 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-bromo-2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2,6-difluorobenzamide is sourced from PubChem (CID 58486905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).