3-[[4-[(3-fluorophenyl)methylamino]phenyl]methylamino]pyrrolidin-2-one

C18H20FN3O — CID 54212623

IUPAC3-[[4-[(3-fluorophenyl)methylamino]phenyl]methylamino]pyrrolidin-2-one
SMILESO=C1NCCC1NCc1ccc(NCc2cccc(F)c2)cc1
InChIInChI=1S/C18H20FN3O/c19-15-3-1-2-14(10-15)12-21-16-6-4-13(5-7-16)11-22-17-8-9-20-18(17)23/h1-7,10,17,21-22H,8-9,11-12H2,(H,20,23)
InChIKeyPWZIXYAGQUYVMZ-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.42
Rot. Bonds6

About 3-[[4-[(3-fluorophenyl)methylamino]phenyl]methylamino]pyrrolidin-2-one

3-[[4-[(3-fluorophenyl)methylamino]phenyl]methylamino]pyrrolidin-2-one (PubChem CID 54212623) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is 3-[[4-[(3-fluorophenyl)methylamino]phenyl]methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[[4-[(3-fluorophenyl)methylamino]phenyl]methylamino]pyrrolidin-2-one
PubChem CID54212623
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name3-[[4-[(3-fluorophenyl)methylamino]phenyl]methylamino]pyrrolidin-2-one
SMILESO=C1NCCC1NCc1ccc(NCc2cccc(F)c2)cc1
InChIInChI=1S/C18H20FN3O/c19-15-3-1-2-14(10-15)12-21-16-6-4-13(5-7-16)11-22-17-8-9-20-18(17)23/h1-7,10,17,21-22H,8-9,11-12H2,(H,20,23)
InChIKeyPWZIXYAGQUYVMZ-UHFFFAOYSA-N
XLogP2.42
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[4-[(3-fluorophenyl)methylamino]phenyl]methylamino]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

3-[2-(3-fluorophenyl)ethylamino]azepan-2-one
CID 43420602
N-[(3-fluorophenyl)methyl]-2-piperidin-4-ylpyridin-4-amine
CID 95825266
3-[[4-[(2-chlorophenyl)methylamino]phenyl]methylamino]azepan-2-one
CID 11371753
3-[(3,5-difluorophenyl)methylamino]azepan-2-one
CID 103613609
(3S)-3-(benzylamino)azepan-2-one
CID 40582762
3-[[3-(trifluoromethyl)phenyl]methylamino]azepan-2-one
CID 43199156
N-[(3-fluorophenyl)methyl]-4-methylaniline
CID 23255338
N-[(3-fluorophenyl)methyl]-4-propylaniline
CID 29045443
N-[(3-fluorophenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]aniline
CID 83960926
3-[(3-chloro-4-fluorophenyl)methylamino]azepan-2-one
CID 55086968
6-[(3-fluorophenyl)methylamino]-1,4-dihydroquinoxaline-2,3-dione
CID 43723400
[4-[[(2-oxopyrrolidin-3-yl)amino]methyl]phenyl] carbamate
CID 175375600

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(3-fluorophenyl)methylamino]phenyl]methylamino]pyrrolidin-2-one?
The IUPAC name of 3-[[4-[(3-fluorophenyl)methylamino]phenyl]methylamino]pyrrolidin-2-one (CID 54212623) is 3-[[4-[(3-fluorophenyl)methylamino]phenyl]methylamino]pyrrolidin-2-one.
What is the SMILES notation for 3-[[4-[(3-fluorophenyl)methylamino]phenyl]methylamino]pyrrolidin-2-one?
The canonical SMILES for 3-[[4-[(3-fluorophenyl)methylamino]phenyl]methylamino]pyrrolidin-2-one is O=C1NCCC1NCc1ccc(NCc2cccc(F)c2)cc1.
What is the InChIKey of 3-[[4-[(3-fluorophenyl)methylamino]phenyl]methylamino]pyrrolidin-2-one?
The InChIKey is PWZIXYAGQUYVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c19-15-3-1-2-14(10-15)12-21-16-6-4-13(5-7-16)11-22-17-8-9-20-18(17)23/h1-7,10,17,21-22H,8-9,11-12H2,(H,20,23).
What are the key properties of 3-[[4-[(3-fluorophenyl)methylamino]phenyl]methylamino]pyrrolidin-2-one?
3-[[4-[(3-fluorophenyl)methylamino]phenyl]methylamino]pyrrolidin-2-one has a molecular weight of 313.38 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(3-fluorophenyl)methylamino]phenyl]methylamino]pyrrolidin-2-one is sourced from PubChem (CID 54212623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).