4-(aminomethyl)-1-(2,6-difluoro-4-iodophenyl)pyrrolidin-2-one

C11H11F2IN2O — CID 168660507

IUPAC4-(aminomethyl)-1-(2,6-difluoro-4-iodophenyl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2c(F)cc(I)cc2F)C1
InChIInChI=1S/C11H11F2IN2O/c12-8-2-7(14)3-9(13)11(8)16-5-6(4-15)1-10(16)17/h2-3,6H,1,4-5,15H2
InChIKeyNOWPSOVSNHAFNZ-UHFFFAOYSA-N
MW352.12 g/mol
LogP1.88
Rot. Bonds2

About 4-(aminomethyl)-1-(2,6-difluoro-4-iodophenyl)pyrrolidin-2-one

4-(aminomethyl)-1-(2,6-difluoro-4-iodophenyl)pyrrolidin-2-one (PubChem CID 168660507) has the molecular formula C11H11F2IN2O and a molecular weight of 352.12 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(2,6-difluoro-4-iodophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(2,6-difluoro-4-iodophenyl)pyrrolidin-2-one
PubChem CID168660507
Molecular FormulaC11H11F2IN2O
Molecular Weight352.12 g/mol
Exact Mass351.99
IUPAC Name4-(aminomethyl)-1-(2,6-difluoro-4-iodophenyl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2c(F)cc(I)cc2F)C1
InChIInChI=1S/C11H11F2IN2O/c12-8-2-7(14)3-9(13)11(8)16-5-6(4-15)1-10(16)17/h2-3,6H,1,4-5,15H2
InChIKeyNOWPSOVSNHAFNZ-UHFFFAOYSA-N
XLogP1.88
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.12
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(aminomethyl)-1-(2,6-difluoro-4-iodophenyl)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-amino-4-bromo-6-fluorophenyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168661085
1-(2,6-difluoro-4-iodophenyl)-4-hydroxypyrrolidin-2-one
CID 168703213
4-(aminomethyl)-1-(3,5-difluoro-4-methylphenyl)pyrrolidin-2-one
CID 168659727
4-(aminomethyl)-1-(3,5-dichloro-2,6-difluoro-4-pyridinyl)pyrrolidin-2-one
CID 168660467
4-(sulfanylmethyl)-1-(2,4,6-trifluorophenyl)pyrrolidin-2-one
CID 168671314
1-(4-chloro-2,6-difluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663357
4-(aminomethyl)-1-(2-iodophenyl)pyrrolidin-2-one
CID 168660871
4-(aminomethyl)-1-(4-bromo-2-fluoro-5-methylphenyl)pyrrolidin-2-one
CID 168659759
5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2,4-difluorobenzoic acid
CID 168660568
1-(2-amino-4,6-difluorophenyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168506053
4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-fluorobenzonitrile
CID 168660667
3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-4-fluorobenzoic acid
CID 168660594

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(2,6-difluoro-4-iodophenyl)pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(2,6-difluoro-4-iodophenyl)pyrrolidin-2-one (CID 168660507) is 4-(aminomethyl)-1-(2,6-difluoro-4-iodophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(2,6-difluoro-4-iodophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(2,6-difluoro-4-iodophenyl)pyrrolidin-2-one is NCC1CC(=O)N(c2c(F)cc(I)cc2F)C1.
What is the InChIKey of 4-(aminomethyl)-1-(2,6-difluoro-4-iodophenyl)pyrrolidin-2-one?
The InChIKey is NOWPSOVSNHAFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2IN2O/c12-8-2-7(14)3-9(13)11(8)16-5-6(4-15)1-10(16)17/h2-3,6H,1,4-5,15H2.
What are the key properties of 4-(aminomethyl)-1-(2,6-difluoro-4-iodophenyl)pyrrolidin-2-one?
4-(aminomethyl)-1-(2,6-difluoro-4-iodophenyl)pyrrolidin-2-one has a molecular weight of 352.12 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(2,6-difluoro-4-iodophenyl)pyrrolidin-2-one is sourced from PubChem (CID 168660507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).