methyl 1-[2-(2-chloroanilino)-2-oxoethyl]pyrrolidine-3-carboxylate

C14H17ClN2O3 — CID 47287034

IUPACmethyl 1-[2-(2-chloroanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(CC(=O)Nc2ccccc2Cl)C1
InChIInChI=1S/C14H17ClN2O3/c1-20-14(19)10-6-7-17(8-10)9-13(18)16-12-5-3-2-4-11(12)15/h2-5,10H,6-9H2,1H3,(H,16,18)
InChIKeyZUMDXYQULNJANW-UHFFFAOYSA-N
MW296.75 g/mol
LogP1.77
Rot. Bonds4

About methyl 1-[2-(2-chloroanilino)-2-oxoethyl]pyrrolidine-3-carboxylate

methyl 1-[2-(2-chloroanilino)-2-oxoethyl]pyrrolidine-3-carboxylate (PubChem CID 47287034) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is methyl 1-[2-(2-chloroanilino)-2-oxoethyl]pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2-chloroanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
PubChem CID47287034
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Namemethyl 1-[2-(2-chloroanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(CC(=O)Nc2ccccc2Cl)C1
InChIInChI=1S/C14H17ClN2O3/c1-20-14(19)10-6-7-17(8-10)9-13(18)16-12-5-3-2-4-11(12)15/h2-5,10H,6-9H2,1H3,(H,16,18)
InChIKeyZUMDXYQULNJANW-UHFFFAOYSA-N
XLogP1.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 1-[2-(2-chloroanilino)-2-oxoethyl]pyrrolidine-3-carboxylate 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

methyl 1-[2-(2-cyanoanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112731411
ethyl 1-[2-(2-chloroanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 51170832
methyl 1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112731413
methyl 1-[2-(2-iodoanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 78920387
2-(4-amino-3-methylpiperidin-1-yl)-N-(2-chlorophenyl)acetamide;hydrochloride
CID 119925180
methyl 1-[2-(2,6-difluoroanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112731422
N-(2-chlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62546007
N-(2-chlorophenyl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide
CID 81491367
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-chlorophenyl)acetamide
CID 114961186
methyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112731416
methyl 1-[2-(4-iodo-2-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112731432
N-(2-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 65450158

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2-chloroanilino)-2-oxoethyl]pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-[2-(2-chloroanilino)-2-oxoethyl]pyrrolidine-3-carboxylate (CID 47287034) is methyl 1-[2-(2-chloroanilino)-2-oxoethyl]pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-[2-(2-chloroanilino)-2-oxoethyl]pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-[2-(2-chloroanilino)-2-oxoethyl]pyrrolidine-3-carboxylate is COC(=O)C1CCN(CC(=O)Nc2ccccc2Cl)C1.
What is the InChIKey of methyl 1-[2-(2-chloroanilino)-2-oxoethyl]pyrrolidine-3-carboxylate?
The InChIKey is ZUMDXYQULNJANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-20-14(19)10-6-7-17(8-10)9-13(18)16-12-5-3-2-4-11(12)15/h2-5,10H,6-9H2,1H3,(H,16,18).
What are the key properties of methyl 1-[2-(2-chloroanilino)-2-oxoethyl]pyrrolidine-3-carboxylate?
methyl 1-[2-(2-chloroanilino)-2-oxoethyl]pyrrolidine-3-carboxylate has a molecular weight of 296.75 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2-chloroanilino)-2-oxoethyl]pyrrolidine-3-carboxylate is sourced from PubChem (CID 47287034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).