2-(4-chlorophenoxy)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide

C18H20ClFN2O2 — CID 43017004

IUPAC2-(4-chlorophenoxy)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide
SMILESCN(C)C(CNC(=O)COc1ccc(Cl)cc1)c1cccc(F)c1
InChIInChI=1S/C18H20ClFN2O2/c1-22(2)17(13-4-3-5-15(20)10-13)11-21-18(23)12-24-16-8-6-14(19)7-9-16/h3-10,17H,11-12H2,1-2H3,(H,21,23)
InChIKeyGMYMCYXIGODADV-UHFFFAOYSA-N
MW350.82 g/mol
LogP3.28
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide

2-(4-chlorophenoxy)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide (PubChem CID 43017004) has the molecular formula C18H20ClFN2O2 and a molecular weight of 350.82 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide
PubChem CID43017004
Molecular FormulaC18H20ClFN2O2
Molecular Weight350.82 g/mol
Exact Mass350.12
IUPAC Name2-(4-chlorophenoxy)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide
SMILESCN(C)C(CNC(=O)COc1ccc(Cl)cc1)c1cccc(F)c1
InChIInChI=1S/C18H20ClFN2O2/c1-22(2)17(13-4-3-5-15(20)10-13)11-21-18(23)12-24-16-8-6-14(19)7-9-16/h3-10,17H,11-12H2,1-2H3,(H,21,23)
InChIKeyGMYMCYXIGODADV-UHFFFAOYSA-N
XLogP3.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.82
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenoxy)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]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

N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 30525493
N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2-(4-methylphenoxy)acetamide
CID 112506773
N-[(2S)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 39835204
2-(2-cyanophenoxy)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide
CID 39959751
2-(2-chloro-6-fluorophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide
CID 51179425
N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 90622980
2-(4-bromophenoxy)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 8796210
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 46419114
2-(4-chlorophenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide
CID 43842984
2-(4-chloro-3-methylphenoxy)-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]acetamide
CID 39835153
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 55370053
2-(4-ethoxyphenoxy)-N-[2-(3-fluorophenyl)-2-methoxyethyl]acetamide
CID 90622981

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide (CID 43017004) is 2-(4-chlorophenoxy)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide is CN(C)C(CNC(=O)COc1ccc(Cl)cc1)c1cccc(F)c1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide?
The InChIKey is GMYMCYXIGODADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O2/c1-22(2)17(13-4-3-5-15(20)10-13)11-21-18(23)12-24-16-8-6-14(19)7-9-16/h3-10,17H,11-12H2,1-2H3,(H,21,23).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide?
2-(4-chlorophenoxy)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide has a molecular weight of 350.82 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 43017004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).