2-(4-chloro-3-methylphenoxy)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide

C15H20ClF3N2O2 — CID 55713003

IUPAC2-(4-chloro-3-methylphenoxy)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide
SMILESCc1cc(OCC(=O)NCCCN(C)CC(F)(F)F)ccc1Cl
InChIInChI=1S/C15H20ClF3N2O2/c1-11-8-12(4-5-13(11)16)23-9-14(22)20-6-3-7-21(2)10-15(17,18)19/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,20,22)
InChIKeyMEIISLSESCFAMM-UHFFFAOYSA-N
MW352.78 g/mol
LogP3.03
Rot. Bonds8

About 2-(4-chloro-3-methylphenoxy)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide

2-(4-chloro-3-methylphenoxy)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide (PubChem CID 55713003) has the molecular formula C15H20ClF3N2O2 and a molecular weight of 352.78 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide
PubChem CID55713003
Molecular FormulaC15H20ClF3N2O2
Molecular Weight352.78 g/mol
Exact Mass352.12
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide
SMILESCc1cc(OCC(=O)NCCCN(C)CC(F)(F)F)ccc1Cl
InChIInChI=1S/C15H20ClF3N2O2/c1-11-8-12(4-5-13(11)16)23-9-14(22)20-6-3-7-21(2)10-15(17,18)19/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,20,22)
InChIKeyMEIISLSESCFAMM-UHFFFAOYSA-N
XLogP3.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[8-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]octyl]acetamide
CID 17233325
4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]butanoic acid
CID 43239214
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
N-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(4-chlorophenoxy)acetamide
CID 113102711
2-(4-chloro-3-methylphenoxy)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 9289604
2-(4-chloro-3,5-dimethylphenoxy)-N-[3-(dimethylamino)propyl]acetamide
CID 2268369
2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233359
N-(3-aminobutyl)-2-(4-chloro-3-methylphenoxy)acetamide;hydrochloride
CID 119497344
N-[2-(dimethylamino)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 19165327
2-(4-chloro-3-methylphenoxy)-N-(2-hydroxybutyl)acetamide
CID 66937964
2-(4-chloro-3-methylphenoxy)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide
CID 111434042
2-(4-chloro-3-methylphenoxy)-N-(5-hydroxypentyl)-N-methylacetamide
CID 107202418

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide (CID 55713003) is 2-(4-chloro-3-methylphenoxy)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide is Cc1cc(OCC(=O)NCCCN(C)CC(F)(F)F)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide?
The InChIKey is MEIISLSESCFAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF3N2O2/c1-11-8-12(4-5-13(11)16)23-9-14(22)20-6-3-7-21(2)10-15(17,18)19/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,20,22).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide?
2-(4-chloro-3-methylphenoxy)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide has a molecular weight of 352.78 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide is sourced from PubChem (CID 55713003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).