N-(2,3-diphenyl-1-benzofuran-5-yl)acetamide

C22H17NO2 — CID 134947529

IUPACN-(2,3-diphenyl-1-benzofuran-5-yl)acetamide
SMILESCC(=O)Nc1ccc2oc(-c3ccccc3)c(-c3ccccc3)c2c1
InChIInChI=1S/C22H17NO2/c1-15(24)23-18-12-13-20-19(14-18)21(16-8-4-2-5-9-16)22(25-20)17-10-6-3-7-11-17/h2-14H,1H3,(H,23,24)
InChIKeyFPKXTLXFPKFRBZ-UHFFFAOYSA-N
MW327.38 g/mol
LogP5.73
Rot. Bonds3

About N-(2,3-diphenyl-1-benzofuran-5-yl)acetamide

N-(2,3-diphenyl-1-benzofuran-5-yl)acetamide (PubChem CID 134947529) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-(2,3-diphenyl-1-benzofuran-5-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-diphenyl-1-benzofuran-5-yl)acetamide
PubChem CID134947529
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC NameN-(2,3-diphenyl-1-benzofuran-5-yl)acetamide
SMILESCC(=O)Nc1ccc2oc(-c3ccccc3)c(-c3ccccc3)c2c1
InChIInChI=1S/C22H17NO2/c1-15(24)23-18-12-13-20-19(14-18)21(16-8-4-2-5-9-16)22(25-20)17-10-6-3-7-11-17/h2-14H,1H3,(H,23,24)
InChIKeyFPKXTLXFPKFRBZ-UHFFFAOYSA-N
XLogP5.73
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.38
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-diphenyl-1-benzofuran-5-yl)acetamide?
The IUPAC name of N-(2,3-diphenyl-1-benzofuran-5-yl)acetamide (CID 134947529) is N-(2,3-diphenyl-1-benzofuran-5-yl)acetamide.
What is the SMILES notation for N-(2,3-diphenyl-1-benzofuran-5-yl)acetamide?
The canonical SMILES for N-(2,3-diphenyl-1-benzofuran-5-yl)acetamide is CC(=O)Nc1ccc2oc(-c3ccccc3)c(-c3ccccc3)c2c1.
What is the InChIKey of N-(2,3-diphenyl-1-benzofuran-5-yl)acetamide?
The InChIKey is FPKXTLXFPKFRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2/c1-15(24)23-18-12-13-20-19(14-18)21(16-8-4-2-5-9-16)22(25-20)17-10-6-3-7-11-17/h2-14H,1H3,(H,23,24).
What are the key properties of N-(2,3-diphenyl-1-benzofuran-5-yl)acetamide?
N-(2,3-diphenyl-1-benzofuran-5-yl)acetamide has a molecular weight of 327.38 g/mol, XLogP of 5.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-diphenyl-1-benzofuran-5-yl)acetamide is sourced from PubChem (CID 134947529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).