4-acetyl-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide

C22H19N3O3 — CID 45165747

IUPAC4-acetyl-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
SMILESCC(=O)c1ccc(C(=O)NCC2Cc3cccc(-c4ncccn4)c3O2)cc1
InChIInChI=1S/C22H19N3O3/c1-14(26)15-6-8-16(9-7-15)22(27)25-13-18-12-17-4-2-5-19(20(17)28-18)21-23-10-3-11-24-21/h2-11,18H,12-13H2,1H3,(H,25,27)
InChIKeyDWLVUUKIGYNSHT-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.08
Rot. Bonds5

About 4-acetyl-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide

4-acetyl-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide (PubChem CID 45165747) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 4-acetyl-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-acetyl-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
PubChem CID45165747
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name4-acetyl-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
SMILESCC(=O)c1ccc(C(=O)NCC2Cc3cccc(-c4ncccn4)c3O2)cc1
InChIInChI=1S/C22H19N3O3/c1-14(26)15-6-8-16(9-7-15)22(27)25-13-18-12-17-4-2-5-19(20(17)28-18)21-23-10-3-11-24-21/h2-11,18H,12-13H2,1H3,(H,25,27)
InChIKeyDWLVUUKIGYNSHT-UHFFFAOYSA-N
XLogP3.08
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide?
The IUPAC name of 4-acetyl-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide (CID 45165747) is 4-acetyl-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide.
What is the SMILES notation for 4-acetyl-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide?
The canonical SMILES for 4-acetyl-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide is CC(=O)c1ccc(C(=O)NCC2Cc3cccc(-c4ncccn4)c3O2)cc1.
What is the InChIKey of 4-acetyl-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide?
The InChIKey is DWLVUUKIGYNSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-14(26)15-6-8-16(9-7-15)22(27)25-13-18-12-17-4-2-5-19(20(17)28-18)21-23-10-3-11-24-21/h2-11,18H,12-13H2,1H3,(H,25,27).
What are the key properties of 4-acetyl-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide?
4-acetyl-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide has a molecular weight of 373.41 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide is sourced from PubChem (CID 45165747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).