1-[2-[1-(4-bromo-2-fluorophenyl)ethylamino]propyl]pyrrolidin-2-one

C15H20BrFN2O — CID 82963383

IUPAC1-[2-[1-(4-bromo-2-fluorophenyl)ethylamino]propyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)NC(C)c1ccc(Br)cc1F
InChIInChI=1S/C15H20BrFN2O/c1-10(9-19-7-3-4-15(19)20)18-11(2)13-6-5-12(16)8-14(13)17/h5-6,8,10-11,18H,3-4,7,9H2,1-2H3
InChIKeyKQDDWZLROGIKFA-UHFFFAOYSA-N
MW343.24 g/mol
LogP3.25
Rot. Bonds5

About 1-[2-[1-(4-bromo-2-fluorophenyl)ethylamino]propyl]pyrrolidin-2-one

1-[2-[1-(4-bromo-2-fluorophenyl)ethylamino]propyl]pyrrolidin-2-one (PubChem CID 82963383) has the molecular formula C15H20BrFN2O and a molecular weight of 343.24 g/mol. Its IUPAC name is 1-[2-[1-(4-bromo-2-fluorophenyl)ethylamino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-(4-bromo-2-fluorophenyl)ethylamino]propyl]pyrrolidin-2-one
PubChem CID82963383
Molecular FormulaC15H20BrFN2O
Molecular Weight343.24 g/mol
Exact Mass342.07
IUPAC Name1-[2-[1-(4-bromo-2-fluorophenyl)ethylamino]propyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)NC(C)c1ccc(Br)cc1F
InChIInChI=1S/C15H20BrFN2O/c1-10(9-19-7-3-4-15(19)20)18-11(2)13-6-5-12(16)8-14(13)17/h5-6,8,10-11,18H,3-4,7,9H2,1-2H3
InChIKeyKQDDWZLROGIKFA-UHFFFAOYSA-N
XLogP3.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-[1-(4-bromo-2-fluorophenyl)ethylamino]propyl]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

1-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]propyl]pyrrolidin-2-one
CID 81329590
1-[2-[1-(2-methoxy-4-methylphenyl)ethylamino]propyl]pyrrolidin-2-one
CID 60930710
1-[2-[1-(4-bromophenyl)propylamino]propyl]pyrrolidin-2-one
CID 60931846
1-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propyl]pyrrolidin-2-one
CID 60931344
1-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]pyrrolidin-2-one
CID 60936415
1-[2-[(2-bromo-4-fluorophenyl)methylamino]propyl]pyrrolidin-2-one
CID 103792650
4-bromo-2-methoxy-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 78988208
1-[2-(1-pyridin-2-ylethylamino)propyl]pyrrolidin-2-one
CID 54865845
N-[1-(4-bromo-2-fluorophenyl)ethyl]-4-phenylbutan-2-amine
CID 82963507
1-[2-[1-(5-chlorothiophen-3-yl)ethylamino]propyl]pyrrolidin-2-one
CID 102976460
1-(4-bromo-2-fluorophenyl)-N-(dicyclopropylmethyl)ethanamine
CID 82964118
N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(3-bromophenyl)ethanamine
CID 82963517

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(4-bromo-2-fluorophenyl)ethylamino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-(4-bromo-2-fluorophenyl)ethylamino]propyl]pyrrolidin-2-one (CID 82963383) is 1-[2-[1-(4-bromo-2-fluorophenyl)ethylamino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-(4-bromo-2-fluorophenyl)ethylamino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-(4-bromo-2-fluorophenyl)ethylamino]propyl]pyrrolidin-2-one is CC(CN1CCCC1=O)NC(C)c1ccc(Br)cc1F.
What is the InChIKey of 1-[2-[1-(4-bromo-2-fluorophenyl)ethylamino]propyl]pyrrolidin-2-one?
The InChIKey is KQDDWZLROGIKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2O/c1-10(9-19-7-3-4-15(19)20)18-11(2)13-6-5-12(16)8-14(13)17/h5-6,8,10-11,18H,3-4,7,9H2,1-2H3.
What are the key properties of 1-[2-[1-(4-bromo-2-fluorophenyl)ethylamino]propyl]pyrrolidin-2-one?
1-[2-[1-(4-bromo-2-fluorophenyl)ethylamino]propyl]pyrrolidin-2-one has a molecular weight of 343.24 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(4-bromo-2-fluorophenyl)ethylamino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 82963383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).