2-(4-fluorophenyl)-N-[[(2R)-5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide

C22H18F2N2O2 — CID 26276594

IUPAC2-(4-fluorophenyl)-N-[[(2R)-5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NC[C@H]1Cc2cc(F)cc(-c3ccccn3)c2O1
InChIInChI=1S/C22H18F2N2O2/c23-16-6-4-14(5-7-16)9-21(27)26-13-18-11-15-10-17(24)12-19(22(15)28-18)20-3-1-2-8-25-20/h1-8,10,12,18H,9,11,13H2,(H,26,27)/t18-/m1/s1
InChIKeyIRROCXGOXCKXAH-GOSISDBHSA-N
MW380.39 g/mol
LogP3.69
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[[(2R)-5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide

2-(4-fluorophenyl)-N-[[(2R)-5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide (PubChem CID 26276594) has the molecular formula C22H18F2N2O2 and a molecular weight of 380.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[[(2R)-5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[[(2R)-5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
PubChem CID26276594
Molecular FormulaC22H18F2N2O2
Molecular Weight380.39 g/mol
Exact Mass380.13
IUPAC Name2-(4-fluorophenyl)-N-[[(2R)-5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NC[C@H]1Cc2cc(F)cc(-c3ccccn3)c2O1
InChIInChI=1S/C22H18F2N2O2/c23-16-6-4-14(5-7-16)9-21(27)26-13-18-11-15-10-17(24)12-19(22(15)28-18)20-3-1-2-8-25-20/h1-8,10,12,18H,9,11,13H2,(H,26,27)/t18-/m1/s1
InChIKeyIRROCXGOXCKXAH-GOSISDBHSA-N
XLogP3.69
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide
CID 45174775
N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 45168534
2-(2,3-difluorophenyl)-N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide
CID 45178081
2,5-difluoro-N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 45178279
N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 45183138
N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 45166748
2-(4-chlorophenyl)-N-[[(2S)-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 42171221
N-[[(2S)-5-fluoro-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 26342022
2-cyclopropyl-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 26351632
N-[[(2S)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylsulfanylpropanamide
CID 42484035
4-methyl-N-[(5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentanamide
CID 45230098
2-(3,4-difluorophenyl)-N-[(5-fluoro-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide
CID 45176529

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[[(2R)-5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[[(2R)-5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide (CID 26276594) is 2-(4-fluorophenyl)-N-[[(2R)-5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[[(2R)-5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[[(2R)-5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide is O=C(Cc1ccc(F)cc1)NC[C@H]1Cc2cc(F)cc(-c3ccccn3)c2O1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[[(2R)-5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
The InChIKey is IRROCXGOXCKXAH-GOSISDBHSA-N. The full InChI is InChI=1S/C22H18F2N2O2/c23-16-6-4-14(5-7-16)9-21(27)26-13-18-11-15-10-17(24)12-19(22(15)28-18)20-3-1-2-8-25-20/h1-8,10,12,18H,9,11,13H2,(H,26,27)/t18-/m1/s1.
What are the key properties of 2-(4-fluorophenyl)-N-[[(2R)-5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
2-(4-fluorophenyl)-N-[[(2R)-5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide has a molecular weight of 380.39 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[[(2R)-5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide is sourced from PubChem (CID 26276594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).