2-(4-chloro-3-methylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide

C15H21ClN2O2 — CID 119535909

IUPAC2-(4-chloro-3-methylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
SMILESCc1cc(OCC(=O)NCCC2CCNC2)ccc1Cl
InChIInChI=1S/C15H21ClN2O2/c1-11-8-13(2-3-14(11)16)20-10-15(19)18-7-5-12-4-6-17-9-12/h2-3,8,12,17H,4-7,9-10H2,1H3,(H,18,19)
InChIKeyWHOCPTHJGUVMBZ-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.14
Rot. Bonds6

About 2-(4-chloro-3-methylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide

2-(4-chloro-3-methylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide (PubChem CID 119535909) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
PubChem CID119535909
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
SMILESCc1cc(OCC(=O)NCCC2CCNC2)ccc1Cl
InChIInChI=1S/C15H21ClN2O2/c1-11-8-13(2-3-14(11)16)20-10-15(19)18-7-5-12-4-6-17-9-12/h2-3,8,12,17H,4-7,9-10H2,1H3,(H,18,19)
InChIKeyWHOCPTHJGUVMBZ-UHFFFAOYSA-N
XLogP2.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-chloro-3-methylphenoxy)-N-(2-pyrrolidin-3-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

Related Compounds

2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119534551
2-(4-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 63624340
2-(4-chloro-3-methylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119462343
2-(4-propan-2-ylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119536634
2-(3-acetylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119537117
4-(3,4-dimethylphenoxy)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
CID 119538281
2-(4-chloro-3-methylphenoxy)-N-[8-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]octyl]acetamide
CID 17233325
2-(3-methoxy-4-nitrophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119534991
2-(2-chloro-4-phenylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119534791
2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 119534233
2-(3,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119461053
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide (CID 119535909) is 2-(4-chloro-3-methylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide is Cc1cc(OCC(=O)NCCC2CCNC2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide?
The InChIKey is WHOCPTHJGUVMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-11-8-13(2-3-14(11)16)20-10-15(19)18-7-5-12-4-6-17-9-12/h2-3,8,12,17H,4-7,9-10H2,1H3,(H,18,19).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide?
2-(4-chloro-3-methylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide has a molecular weight of 296.80 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide is sourced from PubChem (CID 119535909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).