2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-(4-bromophenyl)acetamide

C27H27BrN2O2 — CID 46902964

IUPAC2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-(4-bromophenyl)acetamide
SMILESO=C(C[C@H]1C(=O)N(CCc2ccccc2)C[C@@H]1Cc1ccccc1)Nc1ccc(Br)cc1
InChIInChI=1S/C27H27BrN2O2/c28-23-11-13-24(14-12-23)29-26(31)18-25-22(17-21-9-5-2-6-10-21)19-30(27(25)32)16-15-20-7-3-1-4-8-20/h1-14,22,25H,15-19H2,(H,29,31)/t22-,25+/m0/s1
InChIKeyFKBASDAAXATWLQ-WIOPSUGQSA-N
MW491.43 g/mol
LogP5.34
Rot. Bonds8

About 2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-(4-bromophenyl)acetamide

2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-(4-bromophenyl)acetamide (PubChem CID 46902964) has the molecular formula C27H27BrN2O2 and a molecular weight of 491.43 g/mol. Its IUPAC name is 2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-(4-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-(4-bromophenyl)acetamide
PubChem CID46902964
Molecular FormulaC27H27BrN2O2
Molecular Weight491.43 g/mol
Exact Mass490.13
IUPAC Name2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-(4-bromophenyl)acetamide
SMILESO=C(C[C@H]1C(=O)N(CCc2ccccc2)C[C@@H]1Cc1ccccc1)Nc1ccc(Br)cc1
InChIInChI=1S/C27H27BrN2O2/c28-23-11-13-24(14-12-23)29-26(31)18-25-22(17-21-9-5-2-6-10-21)19-30(27(25)32)16-15-20-7-3-1-4-8-20/h1-14,22,25H,15-19H2,(H,29,31)/t22-,25+/m0/s1
InChIKeyFKBASDAAXATWLQ-WIOPSUGQSA-N
XLogP5.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.43
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-(4-bromophenyl)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-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-(4-bromophenyl)acetamide?
The IUPAC name of 2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-(4-bromophenyl)acetamide (CID 46902964) is 2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-(4-bromophenyl)acetamide.
What is the SMILES notation for 2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-(4-bromophenyl)acetamide?
The canonical SMILES for 2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-(4-bromophenyl)acetamide is O=C(C[C@H]1C(=O)N(CCc2ccccc2)C[C@@H]1Cc1ccccc1)Nc1ccc(Br)cc1.
What is the InChIKey of 2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-(4-bromophenyl)acetamide?
The InChIKey is FKBASDAAXATWLQ-WIOPSUGQSA-N. The full InChI is InChI=1S/C27H27BrN2O2/c28-23-11-13-24(14-12-23)29-26(31)18-25-22(17-21-9-5-2-6-10-21)19-30(27(25)32)16-15-20-7-3-1-4-8-20/h1-14,22,25H,15-19H2,(H,29,31)/t22-,25+/m0/s1.
What are the key properties of 2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-(4-bromophenyl)acetamide?
2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-(4-bromophenyl)acetamide has a molecular weight of 491.43 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-(4-bromophenyl)acetamide is sourced from PubChem (CID 46902964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).