2-(2-benzoylpyrrol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide

C21H20N2O3 — CID 20889244

IUPAC2-(2-benzoylpyrrol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)Cn1cccc1C(=O)c1ccccc1
InChIInChI=1S/C21H20N2O3/c1-26-19-12-6-5-10-17(19)14-22-20(24)15-23-13-7-11-18(23)21(25)16-8-3-2-4-9-16/h2-13H,14-15H2,1H3,(H,22,24)
InChIKeyWLNZHWUUVHFYSQ-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.04
Rot. Bonds7

About 2-(2-benzoylpyrrol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide

2-(2-benzoylpyrrol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 20889244) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-(2-benzoylpyrrol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-benzoylpyrrol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID20889244
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name2-(2-benzoylpyrrol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)Cn1cccc1C(=O)c1ccccc1
InChIInChI=1S/C21H20N2O3/c1-26-19-12-6-5-10-17(19)14-22-20(24)15-23-13-7-11-18(23)21(25)16-8-3-2-4-9-16/h2-13H,14-15H2,1H3,(H,22,24)
InChIKeyWLNZHWUUVHFYSQ-UHFFFAOYSA-N
XLogP3.04
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzoylpyrrol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2-benzoylpyrrol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide (CID 20889244) is 2-(2-benzoylpyrrol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-benzoylpyrrol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-benzoylpyrrol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)Cn1cccc1C(=O)c1ccccc1.
What is the InChIKey of 2-(2-benzoylpyrrol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is WLNZHWUUVHFYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-26-19-12-6-5-10-17(19)14-22-20(24)15-23-13-7-11-18(23)21(25)16-8-3-2-4-9-16/h2-13H,14-15H2,1H3,(H,22,24).
What are the key properties of 2-(2-benzoylpyrrol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
2-(2-benzoylpyrrol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 348.40 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzoylpyrrol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 20889244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).