N-[2-(4-chloro-3-methylphenoxy)ethyl]-N-methyl-2-pyrrolidin-1-ylacetamide

C16H23ClN2O2 — CID 11971594

IUPACN-[2-(4-chloro-3-methylphenoxy)ethyl]-N-methyl-2-pyrrolidin-1-ylacetamide
SMILESCc1cc(OCCN(C)C(=O)CN2CCCC2)ccc1Cl
InChIInChI=1S/C16H23ClN2O2/c1-13-11-14(5-6-15(13)17)21-10-9-18(2)16(20)12-19-7-3-4-8-19/h5-6,11H,3-4,7-10,12H2,1-2H3
InChIKeySQOULKPQTURBKV-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.58
Rot. Bonds6

About N-[2-(4-chloro-3-methylphenoxy)ethyl]-N-methyl-2-pyrrolidin-1-ylacetamide

N-[2-(4-chloro-3-methylphenoxy)ethyl]-N-methyl-2-pyrrolidin-1-ylacetamide (PubChem CID 11971594) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is N-[2-(4-chloro-3-methylphenoxy)ethyl]-N-methyl-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-chloro-3-methylphenoxy)ethyl]-N-methyl-2-pyrrolidin-1-ylacetamide
PubChem CID11971594
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC NameN-[2-(4-chloro-3-methylphenoxy)ethyl]-N-methyl-2-pyrrolidin-1-ylacetamide
SMILESCc1cc(OCCN(C)C(=O)CN2CCCC2)ccc1Cl
InChIInChI=1S/C16H23ClN2O2/c1-13-11-14(5-6-15(13)17)21-10-9-18(2)16(20)12-19-7-3-4-8-19/h5-6,11H,3-4,7-10,12H2,1-2H3
InChIKeySQOULKPQTURBKV-UHFFFAOYSA-N
XLogP2.58
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-chloro-3-methylphenoxy)ethyl]-N-methyl-2-pyrrolidin-1-ylacetamide 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

3-[4-(4-chloro-3-methylphenoxy)butanoyl-methylamino]propanoic acid
CID 119362528
3-[2-(4-chloro-3-methylphenoxy)ethyl-methylamino]propanoic acid
CID 82224188
2-(1,4-diazepan-1-yl)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylacetamide;hydrochloride
CID 119907050
ethyl 3-(4-chloro-3-methylphenoxy)propanoate
CID 43174157
N-methyl-N-(2-phenoxyethyl)-2-piperazin-1-ylacetamide
CID 60937635
N-[2-(4-bromophenoxy)ethyl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide
CID 29235706
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119920408
(2R)-1-(4-chloro-3-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 737301
1-(4-chloro-3-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 2770406
methyl 3-[[2-(4-chloro-3-methylphenoxy)acetyl]-methylamino]propanoate
CID 61032339
2-(4-chloro-3-methylphenoxy)-N-(5-hydroxypentyl)-N-methylacetamide
CID 107202418
3-(4-chloro-3-methylphenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 39418866

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-3-methylphenoxy)ethyl]-N-methyl-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[2-(4-chloro-3-methylphenoxy)ethyl]-N-methyl-2-pyrrolidin-1-ylacetamide (CID 11971594) is N-[2-(4-chloro-3-methylphenoxy)ethyl]-N-methyl-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[2-(4-chloro-3-methylphenoxy)ethyl]-N-methyl-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[2-(4-chloro-3-methylphenoxy)ethyl]-N-methyl-2-pyrrolidin-1-ylacetamide is Cc1cc(OCCN(C)C(=O)CN2CCCC2)ccc1Cl.
What is the InChIKey of N-[2-(4-chloro-3-methylphenoxy)ethyl]-N-methyl-2-pyrrolidin-1-ylacetamide?
The InChIKey is SQOULKPQTURBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-13-11-14(5-6-15(13)17)21-10-9-18(2)16(20)12-19-7-3-4-8-19/h5-6,11H,3-4,7-10,12H2,1-2H3.
What are the key properties of N-[2-(4-chloro-3-methylphenoxy)ethyl]-N-methyl-2-pyrrolidin-1-ylacetamide?
N-[2-(4-chloro-3-methylphenoxy)ethyl]-N-methyl-2-pyrrolidin-1-ylacetamide has a molecular weight of 310.83 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-3-methylphenoxy)ethyl]-N-methyl-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 11971594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).