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

C20H16N2O3 — CID 97016881

IUPAC2-[(1S)-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-/m0/s1
InChIKeyRTRMFNBCILULEG-SFHVURJKSA-N
MW332.36 g/mol
LogP3.72
Rot. Bonds4

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

2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-N-(3-pyrrol-1-ylphenyl)acetamide (PubChem CID 97016881) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-N-(3-pyrrol-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-N-(3-pyrrol-1-ylphenyl)acetamide
PubChem CID97016881
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name2-[(1S)-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-/m0/s1
InChIKeyRTRMFNBCILULEG-SFHVURJKSA-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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Related Compounds

2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-(3-pyrrol-1-ylphenyl)acetamide
CID 94835011
2-(3-oxo-1H-2-benzofuran-1-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
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2-(3-oxo-1H-2-benzofuran-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 42891278
N-(3-chloro-4-methoxyphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 26735813
2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 9391956
3-oxo-N-(3-pyrrol-1-ylphenyl)butanamide
CID 61248263
N-[4-(difluoromethoxy)phenyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 26894768
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 26522157
2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 8006005
2-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide
CID 91639882
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 26521364
2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 38854413

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-N-(3-pyrrol-1-ylphenyl)acetamide?
The IUPAC name of 2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-N-(3-pyrrol-1-ylphenyl)acetamide (CID 97016881) is 2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-N-(3-pyrrol-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-N-(3-pyrrol-1-ylphenyl)acetamide?
The canonical SMILES for 2-[(1S)-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-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-N-(3-pyrrol-1-ylphenyl)acetamide?
The InChIKey is RTRMFNBCILULEG-SFHVURJKSA-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-/m0/s1.
What are the key properties of 2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-N-(3-pyrrol-1-ylphenyl)acetamide?
2-[(1S)-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-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-N-(3-pyrrol-1-ylphenyl)acetamide is sourced from PubChem (CID 97016881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).