methyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidine-2-carboxylate

C14H15ClFNO3 — CID 43410025

IUPACmethyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C14H15ClFNO3/c1-20-14(19)12-6-3-7-17(12)13(18)8-9-10(15)4-2-5-11(9)16/h2,4-5,12H,3,6-8H2,1H3
InChIKeyGJNMVXWVIUNPGD-UHFFFAOYSA-N
MW299.73 g/mol
LogP2.19
Rot. Bonds3

About methyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidine-2-carboxylate

methyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidine-2-carboxylate (PubChem CID 43410025) has the molecular formula C14H15ClFNO3 and a molecular weight of 299.73 g/mol. Its IUPAC name is methyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidine-2-carboxylate
PubChem CID43410025
Molecular FormulaC14H15ClFNO3
Molecular Weight299.73 g/mol
Exact Mass299.07
IUPAC Namemethyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C14H15ClFNO3/c1-20-14(19)12-6-3-7-17(12)13(18)8-9-10(15)4-2-5-11(9)16/h2,4-5,12H,3,6-8H2,1H3
InChIKeyGJNMVXWVIUNPGD-UHFFFAOYSA-N
XLogP2.19
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.73
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidine-2-carboxylate 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 methyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidine-2-carboxylate (CID 43410025) is methyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of methyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidine-2-carboxylate?
The InChIKey is GJNMVXWVIUNPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNO3/c1-20-14(19)12-6-3-7-17(12)13(18)8-9-10(15)4-2-5-11(9)16/h2,4-5,12H,3,6-8H2,1H3.
What are the key properties of methyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidine-2-carboxylate?
methyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidine-2-carboxylate has a molecular weight of 299.73 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 43410025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).