5-[[(5-bromo-2-chlorophenyl)methylamino]methyl]pyrrolidin-2-one

C12H14BrClN2O — CID 103793139

IUPAC5-[[(5-bromo-2-chlorophenyl)methylamino]methyl]pyrrolidin-2-one
SMILESO=C1CCC(CNCc2cc(Br)ccc2Cl)N1
InChIInChI=1S/C12H14BrClN2O/c13-9-1-3-11(14)8(5-9)6-15-7-10-2-4-12(17)16-10/h1,3,5,10,15H,2,4,6-7H2,(H,16,17)
InChIKeyIOLCTACYDZCCHZ-UHFFFAOYSA-N
MW317.61 g/mol
LogP2.47
Rot. Bonds4

About 5-[[(5-bromo-2-chlorophenyl)methylamino]methyl]pyrrolidin-2-one

5-[[(5-bromo-2-chlorophenyl)methylamino]methyl]pyrrolidin-2-one (PubChem CID 103793139) has the molecular formula C12H14BrClN2O and a molecular weight of 317.61 g/mol. Its IUPAC name is 5-[[(5-bromo-2-chlorophenyl)methylamino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[(5-bromo-2-chlorophenyl)methylamino]methyl]pyrrolidin-2-one
PubChem CID103793139
Molecular FormulaC12H14BrClN2O
Molecular Weight317.61 g/mol
Exact Mass316.00
IUPAC Name5-[[(5-bromo-2-chlorophenyl)methylamino]methyl]pyrrolidin-2-one
SMILESO=C1CCC(CNCc2cc(Br)ccc2Cl)N1
InChIInChI=1S/C12H14BrClN2O/c13-9-1-3-11(14)8(5-9)6-15-7-10-2-4-12(17)16-10/h1,3,5,10,15H,2,4,6-7H2,(H,16,17)
InChIKeyIOLCTACYDZCCHZ-UHFFFAOYSA-N
XLogP2.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.61
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-[[(5-bromo-2-chlorophenyl)methylamino]methyl]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

5-bromo-2-chloro-N-[2-(dimethylamino)ethyl]benzamide
CID 977968
(2S)-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 132530670
2-(5-Bromo-2-chlorophenyl)pyrrolidine
CID 3906446
5-[[2-(3-Bromo-2-chlorophenyl)ethenyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]pyrrolidin-2-one
CID 175526527
N-[(5-bromo-2-chloro-4-fluorophenyl)methyl]cyclopropanecarboxamide
CID 178598817
5-({[(3-Bromo-4-fluorophenyl)methyl]amino}methyl)pyrrolidin-2-one
CID 64431571
5-({[(2-Chloro-4-fluorophenyl)methyl]amino}methyl)pyrrolidin-2-one
CID 64431802
5-(((5-Bromo-2-fluorobenzyl)amino)methyl)pyrrolidin-2-one
CID 64434528
5-[[(2-Chloro-6-fluorophenyl)methylamino]methyl]pyrrolidin-2-one
CID 64434534
5-[[(3-Bromo-5-fluorophenyl)methylamino]methyl]pyrrolidin-2-one
CID 79710636
(2R,4S)-N-[(2-chlorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide
CID 99825131
5-[[(2-Chloro-5-fluorophenyl)methylamino]methyl]pyrrolidin-2-one
CID 102615727

Frequently Asked Questions

What is the IUPAC name of 5-[[(5-bromo-2-chlorophenyl)methylamino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[(5-bromo-2-chlorophenyl)methylamino]methyl]pyrrolidin-2-one (CID 103793139) is 5-[[(5-bromo-2-chlorophenyl)methylamino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[(5-bromo-2-chlorophenyl)methylamino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[(5-bromo-2-chlorophenyl)methylamino]methyl]pyrrolidin-2-one is O=C1CCC(CNCc2cc(Br)ccc2Cl)N1.
What is the InChIKey of 5-[[(5-bromo-2-chlorophenyl)methylamino]methyl]pyrrolidin-2-one?
The InChIKey is IOLCTACYDZCCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2O/c13-9-1-3-11(14)8(5-9)6-15-7-10-2-4-12(17)16-10/h1,3,5,10,15H,2,4,6-7H2,(H,16,17).
What are the key properties of 5-[[(5-bromo-2-chlorophenyl)methylamino]methyl]pyrrolidin-2-one?
5-[[(5-bromo-2-chlorophenyl)methylamino]methyl]pyrrolidin-2-one has a molecular weight of 317.61 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-bromo-2-chlorophenyl)methylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 103793139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).