(3S)-3-[benzyl(methyl)amino]-1-(4-bromophenyl)pyrrolidine-2,5-dione

C18H17BrN2O2 — CID 1098209

IUPAC(3S)-3-[benzyl(methyl)amino]-1-(4-bromophenyl)pyrrolidine-2,5-dione
SMILESCN(Cc1ccccc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O
InChIInChI=1S/C18H17BrN2O2/c1-20(12-13-5-3-2-4-6-13)16-11-17(22)21(18(16)23)15-9-7-14(19)8-10-15/h2-10,16H,11-12H2,1H3/t16-/m0/s1
InChIKeyLUKLUPSVLDEIKM-INIZCTEOSA-N
MW373.25 g/mol
LogP3.21
Rot. Bonds4

About (3S)-3-[benzyl(methyl)amino]-1-(4-bromophenyl)pyrrolidine-2,5-dione

(3S)-3-[benzyl(methyl)amino]-1-(4-bromophenyl)pyrrolidine-2,5-dione (PubChem CID 1098209) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is (3S)-3-[benzyl(methyl)amino]-1-(4-bromophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-[benzyl(methyl)amino]-1-(4-bromophenyl)pyrrolidine-2,5-dione
PubChem CID1098209
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC Name(3S)-3-[benzyl(methyl)amino]-1-(4-bromophenyl)pyrrolidine-2,5-dione
SMILESCN(Cc1ccccc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O
InChIInChI=1S/C18H17BrN2O2/c1-20(12-13-5-3-2-4-6-13)16-11-17(22)21(18(16)23)15-9-7-14(19)8-10-15/h2-10,16H,11-12H2,1H3/t16-/m0/s1
InChIKeyLUKLUPSVLDEIKM-INIZCTEOSA-N
XLogP3.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,3,3-tetramethyl-N-(2-phenylethyl)cyclopropane-1-carboxamide
CID 23832478
1-(4-fluorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]pyrrolidine-2,5-dione
CID 2927789
N-benzyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)acetamide
CID 3710802
(3R)-3-[benzyl(methyl)amino]-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
CID 754275
1-(4-bromophenyl)-3-[[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-hydroxyamino]pyrrolidine-2,5-dione
CID 3777582
N-benzyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 23915049
(3S)-3-[benzyl(cyclopropyl)amino]-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 51514997
[2-[benzyl-[(3S)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-2-oxoethyl] carbamimidothioate
CID 125117620
3-[(4-methoxyphenyl)methyl-methylamino]-1-naphthalen-2-ylpyrrolidine-2,5-dione
CID 42945423
N-benzyl-N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 23972954
N-benzyl-N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
CID 23972949
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-[3-[benzyl(methyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23100081

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[benzyl(methyl)amino]-1-(4-bromophenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-[benzyl(methyl)amino]-1-(4-bromophenyl)pyrrolidine-2,5-dione (CID 1098209) is (3S)-3-[benzyl(methyl)amino]-1-(4-bromophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-[benzyl(methyl)amino]-1-(4-bromophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-[benzyl(methyl)amino]-1-(4-bromophenyl)pyrrolidine-2,5-dione is CN(Cc1ccccc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O.
What is the InChIKey of (3S)-3-[benzyl(methyl)amino]-1-(4-bromophenyl)pyrrolidine-2,5-dione?
The InChIKey is LUKLUPSVLDEIKM-INIZCTEOSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c1-20(12-13-5-3-2-4-6-13)16-11-17(22)21(18(16)23)15-9-7-14(19)8-10-15/h2-10,16H,11-12H2,1H3/t16-/m0/s1.
What are the key properties of (3S)-3-[benzyl(methyl)amino]-1-(4-bromophenyl)pyrrolidine-2,5-dione?
(3S)-3-[benzyl(methyl)amino]-1-(4-bromophenyl)pyrrolidine-2,5-dione has a molecular weight of 373.25 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[benzyl(methyl)amino]-1-(4-bromophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 1098209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).