2-[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-N-(2-hydroxyethyl)-N-methylacetamide

C22H23ClN2O2 — CID 167311721

IUPAC2-[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-N-(2-hydroxyethyl)-N-methylacetamide
SMILESCc1c(CC(=O)N(C)CCO)cc(-c2ccc(Cl)cc2)n1-c1ccccc1
InChIInChI=1S/C22H23ClN2O2/c1-16-18(15-22(27)24(2)12-13-26)14-21(17-8-10-19(23)11-9-17)25(16)20-6-4-3-5-7-20/h3-11,14,26H,12-13,15H2,1-2H3
InChIKeyJOIMBZYZYNIHGW-UHFFFAOYSA-N
MW382.89 g/mol
LogP4.10
Rot. Bonds6

About 2-[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-N-(2-hydroxyethyl)-N-methylacetamide

2-[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-N-(2-hydroxyethyl)-N-methylacetamide (PubChem CID 167311721) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-N-(2-hydroxyethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-N-(2-hydroxyethyl)-N-methylacetamide
PubChem CID167311721
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC Name2-[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-N-(2-hydroxyethyl)-N-methylacetamide
SMILESCc1c(CC(=O)N(C)CCO)cc(-c2ccc(Cl)cc2)n1-c1ccccc1
InChIInChI=1S/C22H23ClN2O2/c1-16-18(15-22(27)24(2)12-13-26)14-21(17-8-10-19(23)11-9-17)25(16)20-6-4-3-5-7-20/h3-11,14,26H,12-13,15H2,1-2H3
InChIKeyJOIMBZYZYNIHGW-UHFFFAOYSA-N
XLogP4.10
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

Analyze 2-[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-N-(2-hydroxyethyl)-N-methylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

1-[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-N-methylmethanamine
CID 171342960
[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methyl-trimethylazanium iodide
CID 10412266
5-(4-chlorophenyl)-N-ethoxy-2-methyl-1-phenylpyrrole-3-carboxamide
CID 7213183
[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-(4-methylphenyl)methanone
CID 141193496
[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-(4-methylphenyl)methanone;sulfane
CID 174584784
2-[2-methyl-5-(4-methylsulfonylphenyl)-1-phenylpyrrol-3-yl]ethanol
CID 66693208
5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propan-2-ylpyrrole-3-carboxamide
CID 7213689
5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpyrrole-3-carboxamide
CID 7307046
2-[2-methyl-5-(4-methylsulfonylphenyl)-1-phenylpyrrol-3-yl]acetamide
CID 68806267
1-[1,5-bis(4-chlorophenyl)-2-methylpyrrol-3-yl]-N-methylmethanamine
CID 171350366
3,3-bis(4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylpropanamide
CID 22949885
5-(4-chlorophenyl)-2-methyl-N-(2-methylphenyl)-1-phenylpyrrole-3-carboxamide
CID 2742338

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-N-(2-hydroxyethyl)-N-methylacetamide?
The IUPAC name of 2-[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-N-(2-hydroxyethyl)-N-methylacetamide (CID 167311721) is 2-[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-N-(2-hydroxyethyl)-N-methylacetamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-N-(2-hydroxyethyl)-N-methylacetamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-N-(2-hydroxyethyl)-N-methylacetamide is Cc1c(CC(=O)N(C)CCO)cc(-c2ccc(Cl)cc2)n1-c1ccccc1.
What is the InChIKey of 2-[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-N-(2-hydroxyethyl)-N-methylacetamide?
The InChIKey is JOIMBZYZYNIHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2/c1-16-18(15-22(27)24(2)12-13-26)14-21(17-8-10-19(23)11-9-17)25(16)20-6-4-3-5-7-20/h3-11,14,26H,12-13,15H2,1-2H3.
What are the key properties of 2-[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-N-(2-hydroxyethyl)-N-methylacetamide?
2-[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-N-(2-hydroxyethyl)-N-methylacetamide has a molecular weight of 382.89 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-N-(2-hydroxyethyl)-N-methylacetamide is sourced from PubChem (CID 167311721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).