3-[(4-bromophenyl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione

C14H17BrN2O2 — CID 60779639

IUPAC3-[(4-bromophenyl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)N1C(=O)CC(NCc2ccc(Br)cc2)C1=O
InChIInChI=1S/C14H17BrN2O2/c1-9(2)17-13(18)7-12(14(17)19)16-8-10-3-5-11(15)6-4-10/h3-6,9,12,16H,7-8H2,1-2H3
InChIKeyZWDWKGDYVXXVDV-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.07
Rot. Bonds4

About 3-[(4-bromophenyl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione

3-[(4-bromophenyl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 60779639) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(4-bromophenyl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione
PubChem CID60779639
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name3-[(4-bromophenyl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)N1C(=O)CC(NCc2ccc(Br)cc2)C1=O
InChIInChI=1S/C14H17BrN2O2/c1-9(2)17-13(18)7-12(14(17)19)16-8-10-3-5-11(15)6-4-10/h3-6,9,12,16H,7-8H2,1-2H3
InChIKeyZWDWKGDYVXXVDV-UHFFFAOYSA-N
XLogP2.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-bromophenyl)methylamino]-1-butan-2-ylpyrrolidine-2,5-dione
CID 60779664
3-[(5-bromothiophen-2-yl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 54900259
3-[(4-bromophenyl)methylamino]-1-cyclopropylpyrrolidine-2,5-dione
CID 60779338
3-[(2-ethylphenyl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 64681148
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 113252158
1-butan-2-yl-3-[(6-methyl-3-pyridinyl)methylamino]pyrrolidine-2,5-dione
CID 62997074
3-[2-[cyclopropyl(methyl)amino]ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 62976653
3-[2-(3-fluorophenyl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 43636840
3-[(4-bromo-2-pyridinyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 167960814
1-propan-2-yl-3-(2-pyridin-2-ylethylamino)pyrrolidine-2,5-dione
CID 43636523
3-[2-(1-methylpyrazol-3-yl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 106104440
3-[(1-methylcyclopentyl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 63822409

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(4-bromophenyl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione (CID 60779639) is 3-[(4-bromophenyl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(4-bromophenyl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(4-bromophenyl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione is CC(C)N1C(=O)CC(NCc2ccc(Br)cc2)C1=O.
What is the InChIKey of 3-[(4-bromophenyl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is ZWDWKGDYVXXVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-9(2)17-13(18)7-12(14(17)19)16-8-10-3-5-11(15)6-4-10/h3-6,9,12,16H,7-8H2,1-2H3.
What are the key properties of 3-[(4-bromophenyl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione?
3-[(4-bromophenyl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 325.21 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 60779639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).