1-[2-[[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]amino]ethyl]pyrrolidin-2-one

C14H18ClFN2O — CID 97333679

IUPAC1-[2-[[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]amino]ethyl]pyrrolidin-2-one
SMILESC[C@H](NCCN1CCCC1=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H18ClFN2O/c1-10(11-4-5-13(16)12(15)9-11)17-6-8-18-7-2-3-14(18)19/h4-5,9-10,17H,2-3,6-8H2,1H3/t10-/m0/s1
InChIKeyDHOKKQPDWMWAQU-JTQLQIEISA-N
MW284.76 g/mol
LogP2.75
Rot. Bonds5

About 1-[2-[[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]amino]ethyl]pyrrolidin-2-one

1-[2-[[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]amino]ethyl]pyrrolidin-2-one (PubChem CID 97333679) has the molecular formula C14H18ClFN2O and a molecular weight of 284.76 g/mol. Its IUPAC name is 1-[2-[[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]amino]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]amino]ethyl]pyrrolidin-2-one
PubChem CID97333679
Molecular FormulaC14H18ClFN2O
Molecular Weight284.76 g/mol
Exact Mass284.11
IUPAC Name1-[2-[[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]amino]ethyl]pyrrolidin-2-one
SMILESC[C@H](NCCN1CCCC1=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H18ClFN2O/c1-10(11-4-5-13(16)12(15)9-11)17-6-8-18-7-2-3-14(18)19/h4-5,9-10,17H,2-3,6-8H2,1H3/t10-/m0/s1
InChIKeyDHOKKQPDWMWAQU-JTQLQIEISA-N
XLogP2.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-[[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]amino]ethyl]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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]amino]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]amino]ethyl]pyrrolidin-2-one (CID 97333679) is 1-[2-[[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]amino]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]amino]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]amino]ethyl]pyrrolidin-2-one is C[C@H](NCCN1CCCC1=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-[2-[[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]amino]ethyl]pyrrolidin-2-one?
The InChIKey is DHOKKQPDWMWAQU-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18ClFN2O/c1-10(11-4-5-13(16)12(15)9-11)17-6-8-18-7-2-3-14(18)19/h4-5,9-10,17H,2-3,6-8H2,1H3/t10-/m0/s1.
What are the key properties of 1-[2-[[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]amino]ethyl]pyrrolidin-2-one?
1-[2-[[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]amino]ethyl]pyrrolidin-2-one has a molecular weight of 284.76 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]amino]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 97333679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).