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

C19H19BrN2O2 — CID 46902882

IUPAC2-[(3R,4R)-1-(4-bromophenyl)-4-methyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide
SMILESC[C@H]1CN(c2ccc(Br)cc2)C(=O)[C@@H]1CC(=O)Nc1ccccc1
InChIInChI=1S/C19H19BrN2O2/c1-13-12-22(16-9-7-14(20)8-10-16)19(24)17(13)11-18(23)21-15-5-3-2-4-6-15/h2-10,13,17H,11-12H2,1H3,(H,21,23)/t13-,17+/m0/s1
InChIKeyUMMDAOIBRRLYPW-SUMWQHHRSA-N
MW387.28 g/mol
LogP4.08
Rot. Bonds4

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

2-[(3R,4R)-1-(4-bromophenyl)-4-methyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide (PubChem CID 46902882) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is 2-[(3R,4R)-1-(4-bromophenyl)-4-methyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(3R,4R)-1-(4-bromophenyl)-4-methyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide
PubChem CID46902882
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC Name2-[(3R,4R)-1-(4-bromophenyl)-4-methyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide
SMILESC[C@H]1CN(c2ccc(Br)cc2)C(=O)[C@@H]1CC(=O)Nc1ccccc1
InChIInChI=1S/C19H19BrN2O2/c1-13-12-22(16-9-7-14(20)8-10-16)19(24)17(13)11-18(23)21-15-5-3-2-4-6-15/h2-10,13,17H,11-12H2,1H3,(H,21,23)/t13-,17+/m0/s1
InChIKeyUMMDAOIBRRLYPW-SUMWQHHRSA-N
XLogP4.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3112067
N1-(4-bromophenyl)-N2,N2-dipentylphthalamide
CID 2836828
(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-(diethylamino)butyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide
CID 67495663
(1R,2R,3R,4S)-3-N-(4-bromophenyl)-2-N-(2-methylpropyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide
CID 67495917
(1R,2R,3R,4S)-3-N-(4-bromophenyl)-2-N-(4-pyrrolidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide
CID 67496162
N-(3-bromophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 2902416
1-(4-bromophenyl)-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 647254
1-[3-(4-Bromoanilino)-3-oxopropyl]piperidine-4-carboxamide
CID 660887
N-(4-bromo-2-fluorophenyl)-4-(2,5-dioxo-1-pyrrolidinyl)butanamide
CID 2219836
N-(4-bromo-2-fluorophenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide
CID 2219854
N-1-adamantyl-1-(4-bromophenyl)-5-oxo-3-pyrrolidinecarboxamide
CID 2844195

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-1-(4-bromophenyl)-4-methyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide?
The IUPAC name of 2-[(3R,4R)-1-(4-bromophenyl)-4-methyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide (CID 46902882) is 2-[(3R,4R)-1-(4-bromophenyl)-4-methyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(3R,4R)-1-(4-bromophenyl)-4-methyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(3R,4R)-1-(4-bromophenyl)-4-methyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide is C[C@H]1CN(c2ccc(Br)cc2)C(=O)[C@@H]1CC(=O)Nc1ccccc1.
What is the InChIKey of 2-[(3R,4R)-1-(4-bromophenyl)-4-methyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide?
The InChIKey is UMMDAOIBRRLYPW-SUMWQHHRSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c1-13-12-22(16-9-7-14(20)8-10-16)19(24)17(13)11-18(23)21-15-5-3-2-4-6-15/h2-10,13,17H,11-12H2,1H3,(H,21,23)/t13-,17+/m0/s1.
What are the key properties of 2-[(3R,4R)-1-(4-bromophenyl)-4-methyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide?
2-[(3R,4R)-1-(4-bromophenyl)-4-methyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide has a molecular weight of 387.28 g/mol, XLogP of 4.08, 4 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)-4-methyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide is sourced from PubChem (CID 46902882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).