2-(2-benzoylpyrrol-1-yl)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]acetamide

C27H32N4O2 — CID 6620238

IUPAC2-(2-benzoylpyrrol-1-yl)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]acetamide
SMILESCc1cccc(N2CCN(CCNC(=O)Cn3cccc3C(=O)c3ccccc3)CC2)c1C
InChIInChI=1S/C27H32N4O2/c1-21-8-6-11-24(22(21)2)30-18-16-29(17-19-30)15-13-28-26(32)20-31-14-7-12-25(31)27(33)23-9-4-3-5-10-23/h3-12,14H,13,15-20H2,1-2H3,(H,28,32)
InChIKeyWAWQQSFPVMZFGI-UHFFFAOYSA-N
MW444.58 g/mol
LogP3.27
Rot. Bonds8

About 2-(2-benzoylpyrrol-1-yl)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]acetamide

2-(2-benzoylpyrrol-1-yl)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]acetamide (PubChem CID 6620238) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 2-(2-benzoylpyrrol-1-yl)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-benzoylpyrrol-1-yl)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]acetamide
PubChem CID6620238
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC Name2-(2-benzoylpyrrol-1-yl)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]acetamide
SMILESCc1cccc(N2CCN(CCNC(=O)Cn3cccc3C(=O)c3ccccc3)CC2)c1C
InChIInChI=1S/C27H32N4O2/c1-21-8-6-11-24(22(21)2)30-18-16-29(17-19-30)15-13-28-26(32)20-31-14-7-12-25(31)27(33)23-9-4-3-5-10-23/h3-12,14H,13,15-20H2,1-2H3,(H,28,32)
InChIKeyWAWQQSFPVMZFGI-UHFFFAOYSA-N
XLogP3.27
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-benzoylpyrrol-1-yl)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzoylpyrrol-1-yl)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]acetamide?
The IUPAC name of 2-(2-benzoylpyrrol-1-yl)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]acetamide (CID 6620238) is 2-(2-benzoylpyrrol-1-yl)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-(2-benzoylpyrrol-1-yl)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-(2-benzoylpyrrol-1-yl)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]acetamide is Cc1cccc(N2CCN(CCNC(=O)Cn3cccc3C(=O)c3ccccc3)CC2)c1C.
What is the InChIKey of 2-(2-benzoylpyrrol-1-yl)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]acetamide?
The InChIKey is WAWQQSFPVMZFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-21-8-6-11-24(22(21)2)30-18-16-29(17-19-30)15-13-28-26(32)20-31-14-7-12-25(31)27(33)23-9-4-3-5-10-23/h3-12,14H,13,15-20H2,1-2H3,(H,28,32).
What are the key properties of 2-(2-benzoylpyrrol-1-yl)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]acetamide?
2-(2-benzoylpyrrol-1-yl)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]acetamide has a molecular weight of 444.58 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzoylpyrrol-1-yl)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 6620238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).