2-(2-benzoylpyrrol-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide

C21H19ClN2O2 — CID 20889236

IUPAC2-(2-benzoylpyrrol-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide
SMILESO=C(Cn1cccc1C(=O)c1ccccc1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C21H19ClN2O2/c22-18-10-8-16(9-11-18)12-13-23-20(25)15-24-14-4-7-19(24)21(26)17-5-2-1-3-6-17/h1-11,14H,12-13,15H2,(H,23,25)
InChIKeyILAMGJQQMQPEHR-UHFFFAOYSA-N
MW366.85 g/mol
LogP3.73
Rot. Bonds7

About 2-(2-benzoylpyrrol-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide

2-(2-benzoylpyrrol-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide (PubChem CID 20889236) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is 2-(2-benzoylpyrrol-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-benzoylpyrrol-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide
PubChem CID20889236
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC Name2-(2-benzoylpyrrol-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide
SMILESO=C(Cn1cccc1C(=O)c1ccccc1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C21H19ClN2O2/c22-18-10-8-16(9-11-18)12-13-23-20(25)15-24-14-4-7-19(24)21(26)17-5-2-1-3-6-17/h1-11,14H,12-13,15H2,(H,23,25)
InChIKeyILAMGJQQMQPEHR-UHFFFAOYSA-N
XLogP3.73
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzoylpyrrol-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-(2-benzoylpyrrol-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide (CID 20889236) is 2-(2-benzoylpyrrol-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-benzoylpyrrol-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-benzoylpyrrol-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide is O=C(Cn1cccc1C(=O)c1ccccc1)NCCc1ccc(Cl)cc1.
What is the InChIKey of 2-(2-benzoylpyrrol-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide?
The InChIKey is ILAMGJQQMQPEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c22-18-10-8-16(9-11-18)12-13-23-20(25)15-24-14-4-7-19(24)21(26)17-5-2-1-3-6-17/h1-11,14H,12-13,15H2,(H,23,25).
What are the key properties of 2-(2-benzoylpyrrol-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide?
2-(2-benzoylpyrrol-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide has a molecular weight of 366.85 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzoylpyrrol-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 20889236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).