2-(4-chlorophenyl)-N-[[(2S)-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide

C22H19ClN2O2 — CID 42171221

IUPAC2-(4-chlorophenyl)-N-[[(2S)-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NC[C@@H]1Cc2cccc(-c3ccccn3)c2O1
InChIInChI=1S/C22H19ClN2O2/c23-17-9-7-15(8-10-17)12-21(26)25-14-18-13-16-4-3-5-19(22(16)27-18)20-6-1-2-11-24-20/h1-11,18H,12-14H2,(H,25,26)/t18-/m0/s1
InChIKeySYRFTQSJLJYJRJ-SFHVURJKSA-N
MW378.86 g/mol
LogP4.06
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[[(2S)-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide

2-(4-chlorophenyl)-N-[[(2S)-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide (PubChem CID 42171221) has the molecular formula C22H19ClN2O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[[(2S)-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[[(2S)-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
PubChem CID42171221
Molecular FormulaC22H19ClN2O2
Molecular Weight378.86 g/mol
Exact Mass378.11
IUPAC Name2-(4-chlorophenyl)-N-[[(2S)-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NC[C@@H]1Cc2cccc(-c3ccccn3)c2O1
InChIInChI=1S/C22H19ClN2O2/c23-17-9-7-15(8-10-17)12-21(26)25-14-18-13-16-4-3-5-19(22(16)27-18)20-6-1-2-11-24-20/h1-11,18H,12-14H2,(H,25,26)/t18-/m0/s1
InChIKeySYRFTQSJLJYJRJ-SFHVURJKSA-N
XLogP4.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-N-[[(2R)-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 42317883
2-(4-fluorophenyl)-N-[[(2R)-5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 26276594
N-[[(2R)-7-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(4-methylsulfanylphenyl)acetamide
CID 26338468
2-(2,3-difluorophenyl)-N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide
CID 45178081
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-[[(2S)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
CID 42430877
3-phenyl-N-[[(2R)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
CID 42212363
N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide
CID 45251136
N-[[(2R)-5-chloro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-naphthalen-1-ylacetamide
CID 42212992
2,5-difluoro-N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 45178279
2-(3-chlorophenyl)-N-[[(2R)-7-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 42317627
1-(4-chlorophenyl)-N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropane-1-carboxamide
CID 42210154

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[[(2S)-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[[(2S)-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide (CID 42171221) is 2-(4-chlorophenyl)-N-[[(2S)-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[[(2S)-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[[(2S)-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide is O=C(Cc1ccc(Cl)cc1)NC[C@@H]1Cc2cccc(-c3ccccn3)c2O1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[[(2S)-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
The InChIKey is SYRFTQSJLJYJRJ-SFHVURJKSA-N. The full InChI is InChI=1S/C22H19ClN2O2/c23-17-9-7-15(8-10-17)12-21(26)25-14-18-13-16-4-3-5-19(22(16)27-18)20-6-1-2-11-24-20/h1-11,18H,12-14H2,(H,25,26)/t18-/m0/s1.
What are the key properties of 2-(4-chlorophenyl)-N-[[(2S)-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
2-(4-chlorophenyl)-N-[[(2S)-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide has a molecular weight of 378.86 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[[(2S)-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide is sourced from PubChem (CID 42171221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).