2-[(3R,4R)-4-benzyl-1-(4-bromophenyl)-2-oxopyrrolidin-3-yl]-N-phenylacetamide

C25H23BrN2O2 — CID 46902941

IUPAC2-[(3R,4R)-4-benzyl-1-(4-bromophenyl)-2-oxopyrrolidin-3-yl]-N-phenylacetamide
SMILESO=C(C[C@H]1C(=O)N(c2ccc(Br)cc2)C[C@@H]1Cc1ccccc1)Nc1ccccc1
InChIInChI=1S/C25H23BrN2O2/c26-20-11-13-22(14-12-20)28-17-19(15-18-7-3-1-4-8-18)23(25(28)30)16-24(29)27-21-9-5-2-6-10-21/h1-14,19,23H,15-17H2,(H,27,29)/t19-,23+/m0/s1
InChIKeyHPDIVJCPBDLBTN-WMZHIEFXSA-N
MW463.38 g/mol
LogP5.30
Rot. Bonds6

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

2-[(3R,4R)-4-benzyl-1-(4-bromophenyl)-2-oxopyrrolidin-3-yl]-N-phenylacetamide (PubChem CID 46902941) has the molecular formula C25H23BrN2O2 and a molecular weight of 463.38 g/mol. Its IUPAC name is 2-[(3R,4R)-4-benzyl-1-(4-bromophenyl)-2-oxopyrrolidin-3-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(3R,4R)-4-benzyl-1-(4-bromophenyl)-2-oxopyrrolidin-3-yl]-N-phenylacetamide
PubChem CID46902941
Molecular FormulaC25H23BrN2O2
Molecular Weight463.38 g/mol
Exact Mass462.09
IUPAC Name2-[(3R,4R)-4-benzyl-1-(4-bromophenyl)-2-oxopyrrolidin-3-yl]-N-phenylacetamide
SMILESO=C(C[C@H]1C(=O)N(c2ccc(Br)cc2)C[C@@H]1Cc1ccccc1)Nc1ccccc1
InChIInChI=1S/C25H23BrN2O2/c26-20-11-13-22(14-12-20)28-17-19(15-18-7-3-1-4-8-18)23(25(28)30)16-24(29)27-21-9-5-2-6-10-21/h1-14,19,23H,15-17H2,(H,27,29)/t19-,23+/m0/s1
InChIKeyHPDIVJCPBDLBTN-WMZHIEFXSA-N
XLogP5.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.38
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-4-benzyl-1-(4-bromophenyl)-2-oxopyrrolidin-3-yl]-N-phenylacetamide?
The IUPAC name of 2-[(3R,4R)-4-benzyl-1-(4-bromophenyl)-2-oxopyrrolidin-3-yl]-N-phenylacetamide (CID 46902941) is 2-[(3R,4R)-4-benzyl-1-(4-bromophenyl)-2-oxopyrrolidin-3-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(3R,4R)-4-benzyl-1-(4-bromophenyl)-2-oxopyrrolidin-3-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(3R,4R)-4-benzyl-1-(4-bromophenyl)-2-oxopyrrolidin-3-yl]-N-phenylacetamide is O=C(C[C@H]1C(=O)N(c2ccc(Br)cc2)C[C@@H]1Cc1ccccc1)Nc1ccccc1.
What is the InChIKey of 2-[(3R,4R)-4-benzyl-1-(4-bromophenyl)-2-oxopyrrolidin-3-yl]-N-phenylacetamide?
The InChIKey is HPDIVJCPBDLBTN-WMZHIEFXSA-N. The full InChI is InChI=1S/C25H23BrN2O2/c26-20-11-13-22(14-12-20)28-17-19(15-18-7-3-1-4-8-18)23(25(28)30)16-24(29)27-21-9-5-2-6-10-21/h1-14,19,23H,15-17H2,(H,27,29)/t19-,23+/m0/s1.
What are the key properties of 2-[(3R,4R)-4-benzyl-1-(4-bromophenyl)-2-oxopyrrolidin-3-yl]-N-phenylacetamide?
2-[(3R,4R)-4-benzyl-1-(4-bromophenyl)-2-oxopyrrolidin-3-yl]-N-phenylacetamide has a molecular weight of 463.38 g/mol, XLogP of 5.30, 6 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-1-(4-bromophenyl)-2-oxopyrrolidin-3-yl]-N-phenylacetamide is sourced from PubChem (CID 46902941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).