5-[[(2-chloro-5-fluorophenyl)methylamino]methyl]pyrrolidin-2-one

C12H14ClFN2O — CID 102615727

IUPAC5-[[(2-chloro-5-fluorophenyl)methylamino]methyl]pyrrolidin-2-one
SMILESO=C1CCC(CNCc2cc(F)ccc2Cl)N1
InChIInChI=1S/C12H14ClFN2O/c13-11-3-1-9(14)5-8(11)6-15-7-10-2-4-12(17)16-10/h1,3,5,10,15H,2,4,6-7H2,(H,16,17)
InChIKeyPWMZYBTWUYJUOA-UHFFFAOYSA-N
MW256.71 g/mol
LogP1.85
Rot. Bonds4

About 5-[[(2-chloro-5-fluorophenyl)methylamino]methyl]pyrrolidin-2-one

5-[[(2-chloro-5-fluorophenyl)methylamino]methyl]pyrrolidin-2-one (PubChem CID 102615727) has the molecular formula C12H14ClFN2O and a molecular weight of 256.71 g/mol. Its IUPAC name is 5-[[(2-chloro-5-fluorophenyl)methylamino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[(2-chloro-5-fluorophenyl)methylamino]methyl]pyrrolidin-2-one
PubChem CID102615727
Molecular FormulaC12H14ClFN2O
Molecular Weight256.71 g/mol
Exact Mass256.08
IUPAC Name5-[[(2-chloro-5-fluorophenyl)methylamino]methyl]pyrrolidin-2-one
SMILESO=C1CCC(CNCc2cc(F)ccc2Cl)N1
InChIInChI=1S/C12H14ClFN2O/c13-11-3-1-9(14)5-8(11)6-15-7-10-2-4-12(17)16-10/h1,3,5,10,15H,2,4,6-7H2,(H,16,17)
InChIKeyPWMZYBTWUYJUOA-UHFFFAOYSA-N
XLogP1.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2-chloro-5-fluorophenyl)methylamino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[(2-chloro-5-fluorophenyl)methylamino]methyl]pyrrolidin-2-one (CID 102615727) is 5-[[(2-chloro-5-fluorophenyl)methylamino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[(2-chloro-5-fluorophenyl)methylamino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[(2-chloro-5-fluorophenyl)methylamino]methyl]pyrrolidin-2-one is O=C1CCC(CNCc2cc(F)ccc2Cl)N1.
What is the InChIKey of 5-[[(2-chloro-5-fluorophenyl)methylamino]methyl]pyrrolidin-2-one?
The InChIKey is PWMZYBTWUYJUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O/c13-11-3-1-9(14)5-8(11)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-[[(2-chloro-5-fluorophenyl)methylamino]methyl]pyrrolidin-2-one?
5-[[(2-chloro-5-fluorophenyl)methylamino]methyl]pyrrolidin-2-one has a molecular weight of 256.71 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-chloro-5-fluorophenyl)methylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 102615727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).