3-phenyl-N-[[(2R)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide

C22H21N3O2 — CID 42212363

About 3-phenyl-N-[[(2R)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide

3-phenyl-N-[[(2R)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide (PubChem CID 42212363) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-phenyl-N-[[(2R)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide.

Molecular Properties

• Compound Name: 3-phenyl-N-[[(2R)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
• PubChem CID: 42212363
• Molecular Formula: C22H21N3O2
• Molecular Weight: 359.43 g/mol
• Exact Mass: 359.16
• IUPAC Name: 3-phenyl-N-[[(2R)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
• SMILES: O=C(CCc1ccccc1)NC[C@H]1Cc2cccc(-c3ncccn3)c2O1
• InChI: InChI=1S/C22H21N3O2/c26-20(11-10-16-6-2-1-3-7-16)25-15-18-14-17-8-4-9-19(21(17)27-18)22-23-12-5-13-24-22/h1-9,12-13,18H,10-11,14-15H2,(H,25,26)/t18-/m1/s1
• InChIKey: QIXDLQHWHGLTRO-GOSISDBHSA-N
• XLogP: 3.20
• TPSA: 64.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.43
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[[(2R)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide?

The IUPAC name of 3-phenyl-N-[[(2R)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide (CID 42212363) is 3-phenyl-N-[[(2R)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide.

What is the SMILES notation for 3-phenyl-N-[[(2R)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide?

The canonical SMILES for 3-phenyl-N-[[(2R)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide is O=C(CCc1ccccc1)NC[C@H]1Cc2cccc(-c3ncccn3)c2O1.

What is the InChIKey of 3-phenyl-N-[[(2R)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide?

The InChIKey is QIXDLQHWHGLTRO-GOSISDBHSA-N. The full InChI is InChI=1S/C22H21N3O2/c26-20(11-10-16-6-2-1-3-7-16)25-15-18-14-17-8-4-9-19(21(17)27-18)22-23-12-5-13-24-22/h1-9,12-13,18H,10-11,14-15H2,(H,25,26)/t18-/m1/s1.

What are the key properties of 3-phenyl-N-[[(2R)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide?

3-phenyl-N-[[(2R)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide has a molecular weight of 359.43 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-phenyl-N-[[(2R)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide is sourced from PubChem (CID 42212363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).