2-[(3R,4R)-1-(4-bromophenyl)-2-oxo-4-propylpyrrolidin-3-yl]-N-phenylacetamide

C21H23BrN2O2 — CID 46902945

IUPAC2-[(3R,4R)-1-(4-bromophenyl)-2-oxo-4-propylpyrrolidin-3-yl]-N-phenylacetamide
SMILESCCC[C@H]1CN(c2ccc(Br)cc2)C(=O)[C@@H]1CC(=O)Nc1ccccc1
InChIInChI=1S/C21H23BrN2O2/c1-2-6-15-14-24(18-11-9-16(22)10-12-18)21(26)19(15)13-20(25)23-17-7-4-3-5-8-17/h3-5,7-12,15,19H,2,6,13-14H2,1H3,(H,23,25)/t15-,19+/m0/s1
InChIKeyHQPFVUSWARQYSL-HNAYVOBHSA-N
MW415.33 g/mol
LogP4.86
Rot. Bonds6

About 2-[(3R,4R)-1-(4-bromophenyl)-2-oxo-4-propylpyrrolidin-3-yl]-N-phenylacetamide

2-[(3R,4R)-1-(4-bromophenyl)-2-oxo-4-propylpyrrolidin-3-yl]-N-phenylacetamide (PubChem CID 46902945) has the molecular formula C21H23BrN2O2 and a molecular weight of 415.33 g/mol. Its IUPAC name is 2-[(3R,4R)-1-(4-bromophenyl)-2-oxo-4-propylpyrrolidin-3-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(3R,4R)-1-(4-bromophenyl)-2-oxo-4-propylpyrrolidin-3-yl]-N-phenylacetamide
PubChem CID46902945
Molecular FormulaC21H23BrN2O2
Molecular Weight415.33 g/mol
Exact Mass414.09
IUPAC Name2-[(3R,4R)-1-(4-bromophenyl)-2-oxo-4-propylpyrrolidin-3-yl]-N-phenylacetamide
SMILESCCC[C@H]1CN(c2ccc(Br)cc2)C(=O)[C@@H]1CC(=O)Nc1ccccc1
InChIInChI=1S/C21H23BrN2O2/c1-2-6-15-14-24(18-11-9-16(22)10-12-18)21(26)19(15)13-20(25)23-17-7-4-3-5-8-17/h3-5,7-12,15,19H,2,6,13-14H2,1H3,(H,23,25)/t15-,19+/m0/s1
InChIKeyHQPFVUSWARQYSL-HNAYVOBHSA-N
XLogP4.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.33
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-1-(4-bromophenyl)-2-oxo-4-propylpyrrolidin-3-yl]-N-phenylacetamide?
The IUPAC name of 2-[(3R,4R)-1-(4-bromophenyl)-2-oxo-4-propylpyrrolidin-3-yl]-N-phenylacetamide (CID 46902945) is 2-[(3R,4R)-1-(4-bromophenyl)-2-oxo-4-propylpyrrolidin-3-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(3R,4R)-1-(4-bromophenyl)-2-oxo-4-propylpyrrolidin-3-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(3R,4R)-1-(4-bromophenyl)-2-oxo-4-propylpyrrolidin-3-yl]-N-phenylacetamide is CCC[C@H]1CN(c2ccc(Br)cc2)C(=O)[C@@H]1CC(=O)Nc1ccccc1.
What is the InChIKey of 2-[(3R,4R)-1-(4-bromophenyl)-2-oxo-4-propylpyrrolidin-3-yl]-N-phenylacetamide?
The InChIKey is HQPFVUSWARQYSL-HNAYVOBHSA-N. The full InChI is InChI=1S/C21H23BrN2O2/c1-2-6-15-14-24(18-11-9-16(22)10-12-18)21(26)19(15)13-20(25)23-17-7-4-3-5-8-17/h3-5,7-12,15,19H,2,6,13-14H2,1H3,(H,23,25)/t15-,19+/m0/s1.
What are the key properties of 2-[(3R,4R)-1-(4-bromophenyl)-2-oxo-4-propylpyrrolidin-3-yl]-N-phenylacetamide?
2-[(3R,4R)-1-(4-bromophenyl)-2-oxo-4-propylpyrrolidin-3-yl]-N-phenylacetamide has a molecular weight of 415.33 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-1-(4-bromophenyl)-2-oxo-4-propylpyrrolidin-3-yl]-N-phenylacetamide is sourced from PubChem (CID 46902945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).