2-(2-chloro-5-methoxyanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide

C15H20ClN3O3 — CID 47079021

IUPAC2-(2-chloro-5-methoxyanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
SMILESCOc1ccc(Cl)c(NCC(=O)NCC(=O)N2CCCC2)c1
InChIInChI=1S/C15H20ClN3O3/c1-22-11-4-5-12(16)13(8-11)17-9-14(20)18-10-15(21)19-6-2-3-7-19/h4-5,8,17H,2-3,6-7,9-10H2,1H3,(H,18,20)
InChIKeyLZMMQCCZODUZKI-UHFFFAOYSA-N
MW325.80 g/mol
LogP1.50
Rot. Bonds6

About 2-(2-chloro-5-methoxyanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide

2-(2-chloro-5-methoxyanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 47079021) has the molecular formula C15H20ClN3O3 and a molecular weight of 325.80 g/mol. Its IUPAC name is 2-(2-chloro-5-methoxyanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-5-methoxyanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
PubChem CID47079021
Molecular FormulaC15H20ClN3O3
Molecular Weight325.80 g/mol
Exact Mass325.12
IUPAC Name2-(2-chloro-5-methoxyanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
SMILESCOc1ccc(Cl)c(NCC(=O)NCC(=O)N2CCCC2)c1
InChIInChI=1S/C15H20ClN3O3/c1-22-11-4-5-12(16)13(8-11)17-9-14(20)18-10-15(21)19-6-2-3-7-19/h4-5,8,17H,2-3,6-7,9-10H2,1H3,(H,18,20)
InChIKeyLZMMQCCZODUZKI-UHFFFAOYSA-N
XLogP1.50
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-chloro-5-methoxyanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide 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 2-(2-chloro-5-methoxyanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-(2-chloro-5-methoxyanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide (CID 47079021) is 2-(2-chloro-5-methoxyanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-(2-chloro-5-methoxyanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-(2-chloro-5-methoxyanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide is COc1ccc(Cl)c(NCC(=O)NCC(=O)N2CCCC2)c1.
What is the InChIKey of 2-(2-chloro-5-methoxyanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is LZMMQCCZODUZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O3/c1-22-11-4-5-12(16)13(8-11)17-9-14(20)18-10-15(21)19-6-2-3-7-19/h4-5,8,17H,2-3,6-7,9-10H2,1H3,(H,18,20).
What are the key properties of 2-(2-chloro-5-methoxyanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
2-(2-chloro-5-methoxyanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 325.80 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methoxyanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 47079021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).