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

C14H18BrFN2O — CID 103792650

IUPAC1-[2-[(2-bromo-4-fluorophenyl)methylamino]propyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)NCc1ccc(F)cc1Br
InChIInChI=1S/C14H18BrFN2O/c1-10(9-18-6-2-3-14(18)19)17-8-11-4-5-12(16)7-13(11)15/h4-5,7,10,17H,2-3,6,8-9H2,1H3
InChIKeyMJGLLFNHAPLIRO-UHFFFAOYSA-N
MW329.21 g/mol
LogP2.69
Rot. Bonds5

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

1-[2-[(2-bromo-4-fluorophenyl)methylamino]propyl]pyrrolidin-2-one (PubChem CID 103792650) has the molecular formula C14H18BrFN2O and a molecular weight of 329.21 g/mol. Its IUPAC name is 1-[2-[(2-bromo-4-fluorophenyl)methylamino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(2-bromo-4-fluorophenyl)methylamino]propyl]pyrrolidin-2-one
PubChem CID103792650
Molecular FormulaC14H18BrFN2O
Molecular Weight329.21 g/mol
Exact Mass328.06
IUPAC Name1-[2-[(2-bromo-4-fluorophenyl)methylamino]propyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)NCc1ccc(F)cc1Br
InChIInChI=1S/C14H18BrFN2O/c1-10(9-18-6-2-3-14(18)19)17-8-11-4-5-12(16)7-13(11)15/h4-5,7,10,17H,2-3,6,8-9H2,1H3
InChIKeyMJGLLFNHAPLIRO-UHFFFAOYSA-N
XLogP2.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(5-fluoro-2-methylphenyl)methylamino]propyl]pyrrolidin-2-one
CID 103943702
N-[(2-bromo-4-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 54938184
1-[2-[(2,5-dimethylthiophen-3-yl)methylamino]propyl]pyrrolidin-2-one
CID 54977127
1-[2-[(2,5-dimethylphenyl)methylamino]propyl]pyrrolidin-2-one
CID 60961488
1-[2-[(3-bromofuran-2-yl)methylamino]propyl]pyrrolidin-2-one
CID 103675388
1-[2-[[2-(difluoromethoxy)phenyl]methylamino]propyl]pyrrolidin-2-one
CID 60936413
1-[2-[(2,4,6-trimethylphenyl)methylamino]propyl]pyrrolidin-2-one
CID 60936524
1-[2-(1-benzofuran-3-ylmethylamino)propyl]pyrrolidin-2-one
CID 80700350
3-[(2-bromo-4-fluorophenyl)methylamino]butan-1-ol
CID 81421994
4-fluoro-2-methyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 115745779
1-[2-[(1-methylpyrrol-3-yl)methylamino]propyl]pyrrolidin-2-one
CID 66399198
1-[2-[1-(4-bromo-2-fluorophenyl)ethylamino]propyl]pyrrolidin-2-one
CID 82963383

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-bromo-4-fluorophenyl)methylamino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(2-bromo-4-fluorophenyl)methylamino]propyl]pyrrolidin-2-one (CID 103792650) is 1-[2-[(2-bromo-4-fluorophenyl)methylamino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(2-bromo-4-fluorophenyl)methylamino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(2-bromo-4-fluorophenyl)methylamino]propyl]pyrrolidin-2-one is CC(CN1CCCC1=O)NCc1ccc(F)cc1Br.
What is the InChIKey of 1-[2-[(2-bromo-4-fluorophenyl)methylamino]propyl]pyrrolidin-2-one?
The InChIKey is MJGLLFNHAPLIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O/c1-10(9-18-6-2-3-14(18)19)17-8-11-4-5-12(16)7-13(11)15/h4-5,7,10,17H,2-3,6,8-9H2,1H3.
What are the key properties of 1-[2-[(2-bromo-4-fluorophenyl)methylamino]propyl]pyrrolidin-2-one?
1-[2-[(2-bromo-4-fluorophenyl)methylamino]propyl]pyrrolidin-2-one has a molecular weight of 329.21 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-bromo-4-fluorophenyl)methylamino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 103792650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).