N-(4-bromophenyl)-2-[(3R,4R)-1,4-dibenzyl-2-oxopyrrolidin-3-yl]acetamide

C26H25BrN2O2 — CID 46902963

IUPACN-(4-bromophenyl)-2-[(3R,4R)-1,4-dibenzyl-2-oxopyrrolidin-3-yl]acetamide
SMILESO=C(C[C@H]1C(=O)N(Cc2ccccc2)C[C@@H]1Cc1ccccc1)Nc1ccc(Br)cc1
InChIInChI=1S/C26H25BrN2O2/c27-22-11-13-23(14-12-22)28-25(30)16-24-21(15-19-7-3-1-4-8-19)18-29(26(24)31)17-20-9-5-2-6-10-20/h1-14,21,24H,15-18H2,(H,28,30)/t21-,24+/m0/s1
InChIKeyJSKSWBUARZAPQI-XUZZJYLKSA-N
MW477.40 g/mol
LogP5.30
Rot. Bonds7

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

N-(4-bromophenyl)-2-[(3R,4R)-1,4-dibenzyl-2-oxopyrrolidin-3-yl]acetamide (PubChem CID 46902963) has the molecular formula C26H25BrN2O2 and a molecular weight of 477.40 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[(3R,4R)-1,4-dibenzyl-2-oxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[(3R,4R)-1,4-dibenzyl-2-oxopyrrolidin-3-yl]acetamide
PubChem CID46902963
Molecular FormulaC26H25BrN2O2
Molecular Weight477.40 g/mol
Exact Mass476.11
IUPAC NameN-(4-bromophenyl)-2-[(3R,4R)-1,4-dibenzyl-2-oxopyrrolidin-3-yl]acetamide
SMILESO=C(C[C@H]1C(=O)N(Cc2ccccc2)C[C@@H]1Cc1ccccc1)Nc1ccc(Br)cc1
InChIInChI=1S/C26H25BrN2O2/c27-22-11-13-23(14-12-22)28-25(30)16-24-21(15-19-7-3-1-4-8-19)18-29(26(24)31)17-20-9-5-2-6-10-20/h1-14,21,24H,15-18H2,(H,28,30)/t21-,24+/m0/s1
InChIKeyJSKSWBUARZAPQI-XUZZJYLKSA-N
XLogP5.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.40
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[(3R,4R)-1,4-dibenzyl-2-oxopyrrolidin-3-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[(3R,4R)-1,4-dibenzyl-2-oxopyrrolidin-3-yl]acetamide (CID 46902963) is N-(4-bromophenyl)-2-[(3R,4R)-1,4-dibenzyl-2-oxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[(3R,4R)-1,4-dibenzyl-2-oxopyrrolidin-3-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[(3R,4R)-1,4-dibenzyl-2-oxopyrrolidin-3-yl]acetamide is O=C(C[C@H]1C(=O)N(Cc2ccccc2)C[C@@H]1Cc1ccccc1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[(3R,4R)-1,4-dibenzyl-2-oxopyrrolidin-3-yl]acetamide?
The InChIKey is JSKSWBUARZAPQI-XUZZJYLKSA-N. The full InChI is InChI=1S/C26H25BrN2O2/c27-22-11-13-23(14-12-22)28-25(30)16-24-21(15-19-7-3-1-4-8-19)18-29(26(24)31)17-20-9-5-2-6-10-20/h1-14,21,24H,15-18H2,(H,28,30)/t21-,24+/m0/s1.
What are the key properties of N-(4-bromophenyl)-2-[(3R,4R)-1,4-dibenzyl-2-oxopyrrolidin-3-yl]acetamide?
N-(4-bromophenyl)-2-[(3R,4R)-1,4-dibenzyl-2-oxopyrrolidin-3-yl]acetamide has a molecular weight of 477.40 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[(3R,4R)-1,4-dibenzyl-2-oxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 46902963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).