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

C24H21N3O3 — CID 45185758

IUPAC2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide
SMILESO=C(CC1NC(=O)c2ccccc21)NCC1Cc2cccc(-c3ccncc3)c2O1
InChIInChI=1S/C24H21N3O3/c28-22(13-21-19-5-1-2-6-20(19)24(29)27-21)26-14-17-12-16-4-3-7-18(23(16)30-17)15-8-10-25-11-9-15/h1-11,17,21H,12-14H2,(H,26,28)(H,27,29)
InChIKeyDQVNQKDOWLXXEZ-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.04
Rot. Bonds5

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

2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide (PubChem CID 45185758) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide
PubChem CID45185758
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide
SMILESO=C(CC1NC(=O)c2ccccc21)NCC1Cc2cccc(-c3ccncc3)c2O1
InChIInChI=1S/C24H21N3O3/c28-22(13-21-19-5-1-2-6-20(19)24(29)27-21)26-14-17-12-16-4-3-7-18(23(16)30-17)15-8-10-25-11-9-15/h1-11,17,21H,12-14H2,(H,26,28)(H,27,29)
InChIKeyDQVNQKDOWLXXEZ-UHFFFAOYSA-N
XLogP3.04
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide?
The IUPAC name of 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide (CID 45185758) is 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide?
The canonical SMILES for 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide is O=C(CC1NC(=O)c2ccccc21)NCC1Cc2cccc(-c3ccncc3)c2O1.
What is the InChIKey of 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide?
The InChIKey is DQVNQKDOWLXXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c28-22(13-21-19-5-1-2-6-20(19)24(29)27-21)26-14-17-12-16-4-3-7-18(23(16)30-17)15-8-10-25-11-9-15/h1-11,17,21H,12-14H2,(H,26,28)(H,27,29).
What are the key properties of 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide?
2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide has a molecular weight of 399.45 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide is sourced from PubChem (CID 45185758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).