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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Related Compounds

1-(4-Bromophenylaminocarbonyl)-4,5-diphenyl-3-pyrazolidinone
CID 132190
1-Pyrazolidinecarboxamide, N-(4-bromophenyl)-3-oxo-4,5-diphenyl-, (4S,5R)-
CID 2802894
(4R,5S)-N-(4-bromophenyl)-3-oxo-4,5-diphenylpyrazolidine-1-carboxamide
CID 6956374
2,2-diphenyl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 1961208
N1-(4-bromophenyl)-N2,N2-dipentylphthalamide
CID 2836828
(1R,2R,3R,4S)-3-N-(4-bromophenyl)-2-N-(4-piperidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide
CID 49779990
(1R,2R,3R,4S)-3-N-(4-bromophenyl)-2-N-(5-pyrrolidin-1-ylpentyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide
CID 67495044
(1R,2R,3R,4S)-3-N-(4-bromophenyl)-2-N-(4-pyrrolidin-1-ylbutyl)spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2,3-dicarboxamide
CID 67495052
(1R,2R,3R,4S)-3-N-(4-bromophenyl)-2-N-(piperidin-4-ylmethyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide
CID 67495075
(1R,2R,3R,4S)-2-N-(5-aminopentyl)-3-N-(4-bromophenyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide
CID 67495547
(1R,2R,3R,4S)-2-N-[[3-(aminomethyl)phenyl]methyl]-3-N-(4-bromophenyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide
CID 67495587
(1R,2R,3R,4S)-3-N-(4-bromophenyl)-2-N-[4-(diethylamino)butyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide
CID 67495663

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).