4-[1-(4-bromophenyl)propan-2-ylamino]pyrrolidin-2-one

C13H17BrN2O — CID 106184042

IUPAC4-[1-(4-bromophenyl)propan-2-ylamino]pyrrolidin-2-one
SMILESCC(Cc1ccc(Br)cc1)NC1CNC(=O)C1
InChIInChI=1S/C13H17BrN2O/c1-9(16-12-7-13(17)15-8-12)6-10-2-4-11(14)5-3-10/h2-5,9,12,16H,6-8H2,1H3,(H,15,17)
InChIKeyXVZITNZBTDTHNG-UHFFFAOYSA-N
MW297.20 g/mol
LogP1.86
Rot. Bonds4

About 4-[1-(4-bromophenyl)propan-2-ylamino]pyrrolidin-2-one

4-[1-(4-bromophenyl)propan-2-ylamino]pyrrolidin-2-one (PubChem CID 106184042) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 4-[1-(4-bromophenyl)propan-2-ylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-(4-bromophenyl)propan-2-ylamino]pyrrolidin-2-one
PubChem CID106184042
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name4-[1-(4-bromophenyl)propan-2-ylamino]pyrrolidin-2-one
SMILESCC(Cc1ccc(Br)cc1)NC1CNC(=O)C1
InChIInChI=1S/C13H17BrN2O/c1-9(16-12-7-13(17)15-8-12)6-10-2-4-11(14)5-3-10/h2-5,9,12,16H,6-8H2,1H3,(H,15,17)
InChIKeyXVZITNZBTDTHNG-UHFFFAOYSA-N
XLogP1.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[1-(4-bromophenyl)propan-2-ylamino]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(5-oxopyrrolidin-3-yl)amino]butanenitrile
CID 105036476
N-[1-(4-bromophenyl)propan-2-yl]-3-ethoxycyclobutan-1-amine
CID 112553206
N-[1-(4-bromophenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine
CID 103779237
N-[(2S)-1-(4-bromophenyl)propan-2-yl]methanesulfonamide
CID 94145530
4-[[3-(4-bromophenyl)cyclobutyl]amino]pyrrolidin-2-one
CID 114155204
(4R)-4-(2-methylpropylamino)pyrrolidin-2-one
CID 139457725
4-(1-cyclobutylethylamino)pyrrolidin-2-one
CID 130978828
4-(but-3-yn-2-ylamino)pyrrolidin-2-one
CID 106189245
3-(1-phenylpropan-2-ylamino)pyrrolidine-2,5-dione
CID 63011087
N-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119734902
N-[1-(4-propan-2-ylphenyl)propan-2-yl]cyclopropanamine
CID 82262582
N-[1-(4-fluorophenyl)propan-2-yl]-3-methoxycyclobutan-1-amine
CID 113429558

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-bromophenyl)propan-2-ylamino]pyrrolidin-2-one?
The IUPAC name of 4-[1-(4-bromophenyl)propan-2-ylamino]pyrrolidin-2-one (CID 106184042) is 4-[1-(4-bromophenyl)propan-2-ylamino]pyrrolidin-2-one.
What is the SMILES notation for 4-[1-(4-bromophenyl)propan-2-ylamino]pyrrolidin-2-one?
The canonical SMILES for 4-[1-(4-bromophenyl)propan-2-ylamino]pyrrolidin-2-one is CC(Cc1ccc(Br)cc1)NC1CNC(=O)C1.
What is the InChIKey of 4-[1-(4-bromophenyl)propan-2-ylamino]pyrrolidin-2-one?
The InChIKey is XVZITNZBTDTHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-9(16-12-7-13(17)15-8-12)6-10-2-4-11(14)5-3-10/h2-5,9,12,16H,6-8H2,1H3,(H,15,17).
What are the key properties of 4-[1-(4-bromophenyl)propan-2-ylamino]pyrrolidin-2-one?
4-[1-(4-bromophenyl)propan-2-ylamino]pyrrolidin-2-one has a molecular weight of 297.20 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-bromophenyl)propan-2-ylamino]pyrrolidin-2-one is sourced from PubChem (CID 106184042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).