4-(aminomethyl)-1-(4-bromo-2-fluoro-5-methylphenyl)pyrrolidin-2-one

C12H14BrFN2O — CID 168659759

IUPAC4-(aminomethyl)-1-(4-bromo-2-fluoro-5-methylphenyl)pyrrolidin-2-one
SMILESCc1cc(N2CC(CN)CC2=O)c(F)cc1Br
InChIInChI=1S/C12H14BrFN2O/c1-7-2-11(10(14)4-9(7)13)16-6-8(5-15)3-12(16)17/h2,4,8H,3,5-6,15H2,1H3
InChIKeyMSTJVDIAMILSPY-UHFFFAOYSA-N
MW301.16 g/mol
LogP2.21
Rot. Bonds2

About 4-(aminomethyl)-1-(4-bromo-2-fluoro-5-methylphenyl)pyrrolidin-2-one

4-(aminomethyl)-1-(4-bromo-2-fluoro-5-methylphenyl)pyrrolidin-2-one (PubChem CID 168659759) has the molecular formula C12H14BrFN2O and a molecular weight of 301.16 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(4-bromo-2-fluoro-5-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(4-bromo-2-fluoro-5-methylphenyl)pyrrolidin-2-one
PubChem CID168659759
Molecular FormulaC12H14BrFN2O
Molecular Weight301.16 g/mol
Exact Mass300.03
IUPAC Name4-(aminomethyl)-1-(4-bromo-2-fluoro-5-methylphenyl)pyrrolidin-2-one
SMILESCc1cc(N2CC(CN)CC2=O)c(F)cc1Br
InChIInChI=1S/C12H14BrFN2O/c1-7-2-11(10(14)4-9(7)13)16-6-8(5-15)3-12(16)17/h2,4,8H,3,5-6,15H2,1H3
InChIKeyMSTJVDIAMILSPY-UHFFFAOYSA-N
XLogP2.21
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.16
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(aminomethyl)-1-(4-bromo-2-fluoro-5-methylphenyl)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-(4-bromo-2-fluoro-5-methylphenyl)-4-ethynylpyrrolidin-2-one
CID 168501058
1-(4-bromo-2,5-difluorophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671293
5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2,4-difluorobenzoic acid
CID 168660568
4-(aminomethyl)-1-(3,5-difluoro-4-methylphenyl)pyrrolidin-2-one
CID 168659727
4-(aminomethyl)-1-(5-amino-2-methylphenyl)pyrrolidin-2-one
CID 168659847
4-(aminomethyl)-1-(5-bromo-2-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168659739
1-(2-amino-4-chlorophenyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168660818
1-(2-amino-4-bromo-6-fluorophenyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168661085
3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-4-fluorobenzoic acid
CID 168660594
4-(aminomethyl)-1-(2,5-dimethyl-4-nitrophenyl)pyrrolidin-2-one
CID 168659978
1-(2-amino-3,4-dimethylphenyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168659787
4-(aminomethyl)-1-(3-bromo-5-fluoro-2-pyridinyl)pyrrolidin-2-one
CID 168660978

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(4-bromo-2-fluoro-5-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(4-bromo-2-fluoro-5-methylphenyl)pyrrolidin-2-one (CID 168659759) is 4-(aminomethyl)-1-(4-bromo-2-fluoro-5-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(4-bromo-2-fluoro-5-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(4-bromo-2-fluoro-5-methylphenyl)pyrrolidin-2-one is Cc1cc(N2CC(CN)CC2=O)c(F)cc1Br.
What is the InChIKey of 4-(aminomethyl)-1-(4-bromo-2-fluoro-5-methylphenyl)pyrrolidin-2-one?
The InChIKey is MSTJVDIAMILSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O/c1-7-2-11(10(14)4-9(7)13)16-6-8(5-15)3-12(16)17/h2,4,8H,3,5-6,15H2,1H3.
What are the key properties of 4-(aminomethyl)-1-(4-bromo-2-fluoro-5-methylphenyl)pyrrolidin-2-one?
4-(aminomethyl)-1-(4-bromo-2-fluoro-5-methylphenyl)pyrrolidin-2-one has a molecular weight of 301.16 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(4-bromo-2-fluoro-5-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 168659759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).