3-(2-fluorophenyl)-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide

C26H20FN3O2 — CID 45166961

IUPAC3-(2-fluorophenyl)-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
SMILESO=C(NCC1Cc2cccc(-c3ncccn3)c2O1)c1cccc(-c2ccccc2F)c1
InChIInChI=1S/C26H20FN3O2/c27-23-11-2-1-9-21(23)17-6-3-8-19(14-17)26(31)30-16-20-15-18-7-4-10-22(24(18)32-20)25-28-12-5-13-29-25/h1-14,20H,15-16H2,(H,30,31)
InChIKeyYMGLHHVQUSQFSS-UHFFFAOYSA-N
MW425.46 g/mol
LogP4.68
Rot. Bonds5

About 3-(2-fluorophenyl)-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide

3-(2-fluorophenyl)-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide (PubChem CID 45166961) has the molecular formula C26H20FN3O2 and a molecular weight of 425.46 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
PubChem CID45166961
Molecular FormulaC26H20FN3O2
Molecular Weight425.46 g/mol
Exact Mass425.15
IUPAC Name3-(2-fluorophenyl)-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
SMILESO=C(NCC1Cc2cccc(-c3ncccn3)c2O1)c1cccc(-c2ccccc2F)c1
InChIInChI=1S/C26H20FN3O2/c27-23-11-2-1-9-21(23)17-6-3-8-19(14-17)26(31)30-16-20-15-18-7-4-10-22(24(18)32-20)25-28-12-5-13-29-25/h1-14,20H,15-16H2,(H,30,31)
InChIKeyYMGLHHVQUSQFSS-UHFFFAOYSA-N
XLogP4.68
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide (CID 45166961) is 3-(2-fluorophenyl)-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide is O=C(NCC1Cc2cccc(-c3ncccn3)c2O1)c1cccc(-c2ccccc2F)c1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide?
The InChIKey is YMGLHHVQUSQFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O2/c27-23-11-2-1-9-21(23)17-6-3-8-19(14-17)26(31)30-16-20-15-18-7-4-10-22(24(18)32-20)25-28-12-5-13-29-25/h1-14,20H,15-16H2,(H,30,31).
What are the key properties of 3-(2-fluorophenyl)-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide?
3-(2-fluorophenyl)-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide has a molecular weight of 425.46 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide is sourced from PubChem (CID 45166961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).