2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-(3-pyrrol-1-ylphenyl)acetamide

C20H16N2O3 — CID 94835011

IUPAC2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-(3-pyrrol-1-ylphenyl)acetamide
SMILESO=C(C[C@H]1OC(=O)c2ccccc21)Nc1cccc(-n2cccc2)c1
InChIInChI=1S/C20H16N2O3/c23-19(13-18-16-8-1-2-9-17(16)20(24)25-18)21-14-6-5-7-15(12-14)22-10-3-4-11-22/h1-12,18H,13H2,(H,21,23)/t18-/m1/s1
InChIKeyRTRMFNBCILULEG-GOSISDBHSA-N
MW332.36 g/mol
LogP3.72
Rot. Bonds4

About 2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-(3-pyrrol-1-ylphenyl)acetamide

2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-(3-pyrrol-1-ylphenyl)acetamide (PubChem CID 94835011) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-(3-pyrrol-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-(3-pyrrol-1-ylphenyl)acetamide
PubChem CID94835011
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-(3-pyrrol-1-ylphenyl)acetamide
SMILESO=C(C[C@H]1OC(=O)c2ccccc21)Nc1cccc(-n2cccc2)c1
InChIInChI=1S/C20H16N2O3/c23-19(13-18-16-8-1-2-9-17(16)20(24)25-18)21-14-6-5-7-15(12-14)22-10-3-4-11-22/h1-12,18H,13H2,(H,21,23)/t18-/m1/s1
InChIKeyRTRMFNBCILULEG-GOSISDBHSA-N
XLogP3.72
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-(3-pyrrol-1-ylphenyl)acetamide?
The IUPAC name of 2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-(3-pyrrol-1-ylphenyl)acetamide (CID 94835011) is 2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-(3-pyrrol-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-(3-pyrrol-1-ylphenyl)acetamide?
The canonical SMILES for 2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-(3-pyrrol-1-ylphenyl)acetamide is O=C(C[C@H]1OC(=O)c2ccccc21)Nc1cccc(-n2cccc2)c1.
What is the InChIKey of 2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-(3-pyrrol-1-ylphenyl)acetamide?
The InChIKey is RTRMFNBCILULEG-GOSISDBHSA-N. The full InChI is InChI=1S/C20H16N2O3/c23-19(13-18-16-8-1-2-9-17(16)20(24)25-18)21-14-6-5-7-15(12-14)22-10-3-4-11-22/h1-12,18H,13H2,(H,21,23)/t18-/m1/s1.
What are the key properties of 2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-(3-pyrrol-1-ylphenyl)acetamide?
2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-(3-pyrrol-1-ylphenyl)acetamide has a molecular weight of 332.36 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-(3-pyrrol-1-ylphenyl)acetamide is sourced from PubChem (CID 94835011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).