N-[[7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-oxo-2-phenylacetamide

C23H20N2O3 — CID 45167343

IUPACN-[[7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-oxo-2-phenylacetamide
SMILESCc1cccnc1-c1cccc2c1OC(CNC(=O)C(=O)c1ccccc1)C2
InChIInChI=1S/C23H20N2O3/c1-15-7-6-12-24-20(15)19-11-5-10-17-13-18(28-22(17)19)14-25-23(27)21(26)16-8-3-2-4-9-16/h2-12,18H,13-14H2,1H3,(H,25,27)
InChIKeyNNAIIKDXMNQUBS-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.36
Rot. Bonds5

About N-[[7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-oxo-2-phenylacetamide

N-[[7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-oxo-2-phenylacetamide (PubChem CID 45167343) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-[[7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-oxo-2-phenylacetamide.

Molecular Properties

Compound NameN-[[7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-oxo-2-phenylacetamide
PubChem CID45167343
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC NameN-[[7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-oxo-2-phenylacetamide
SMILESCc1cccnc1-c1cccc2c1OC(CNC(=O)C(=O)c1ccccc1)C2
InChIInChI=1S/C23H20N2O3/c1-15-7-6-12-24-20(15)19-11-5-10-17-13-18(28-22(17)19)14-25-23(27)21(26)16-8-3-2-4-9-16/h2-12,18H,13-14H2,1H3,(H,25,27)
InChIKeyNNAIIKDXMNQUBS-UHFFFAOYSA-N
XLogP3.36
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclobutanecarboxamide
CID 42484271
3,5-difluoro-N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 42326297
N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pent-4-enamide
CID 26345598
N-[[7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pent-4-enamide
CID 45242894
2,5-dimethyl-N-[[7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 45180483
(3S)-N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide
CID 42360420
N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-propan-2-yloxybenzamide
CID 42171033
N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 42376329
1-(4-chlorophenyl)-N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropane-1-carboxamide
CID 42210154
N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide
CID 45251136
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]cyclopropanecarboxamide
CID 45207708

Frequently Asked Questions

What is the IUPAC name of N-[[7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-oxo-2-phenylacetamide?
The IUPAC name of N-[[7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-oxo-2-phenylacetamide (CID 45167343) is N-[[7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-oxo-2-phenylacetamide.
What is the SMILES notation for N-[[7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-oxo-2-phenylacetamide?
The canonical SMILES for N-[[7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-oxo-2-phenylacetamide is Cc1cccnc1-c1cccc2c1OC(CNC(=O)C(=O)c1ccccc1)C2.
What is the InChIKey of N-[[7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-oxo-2-phenylacetamide?
The InChIKey is NNAIIKDXMNQUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-15-7-6-12-24-20(15)19-11-5-10-17-13-18(28-22(17)19)14-25-23(27)21(26)16-8-3-2-4-9-16/h2-12,18H,13-14H2,1H3,(H,25,27).
What are the key properties of N-[[7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-oxo-2-phenylacetamide?
N-[[7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-oxo-2-phenylacetamide has a molecular weight of 372.42 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-oxo-2-phenylacetamide is sourced from PubChem (CID 45167343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).