2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-[2-(trifluoromethyl)phenyl]propanamide

C19H20ClF3N2O2 — CID 24507754

IUPAC2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccccc1C(F)(F)F)N(C)CCOc1ccccc1Cl
InChIInChI=1S/C19H20ClF3N2O2/c1-13(25(2)11-12-27-17-10-6-4-8-15(17)20)18(26)24-16-9-5-3-7-14(16)19(21,22)23/h3-10,13H,11-12H2,1-2H3,(H,24,26)
InChIKeyMEPYIMZMSPJGLG-UHFFFAOYSA-N
MW400.83 g/mol
LogP4.70
Rot. Bonds7

About 2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-[2-(trifluoromethyl)phenyl]propanamide

2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 24507754) has the molecular formula C19H20ClF3N2O2 and a molecular weight of 400.83 g/mol. Its IUPAC name is 2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID24507754
Molecular FormulaC19H20ClF3N2O2
Molecular Weight400.83 g/mol
Exact Mass400.12
IUPAC Name2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccccc1C(F)(F)F)N(C)CCOc1ccccc1Cl
InChIInChI=1S/C19H20ClF3N2O2/c1-13(25(2)11-12-27-17-10-6-4-8-15(17)20)18(26)24-16-9-5-3-7-14(16)19(21,22)23/h3-10,13H,11-12H2,1-2H3,(H,24,26)
InChIKeyMEPYIMZMSPJGLG-UHFFFAOYSA-N
XLogP4.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.83
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(2,4-difluorophenyl)propanamide
CID 46631679
N-(2-chlorophenyl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]propanamide
CID 55869495
N-(2-methoxyphenyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide
CID 17437130
N-[(2-chlorophenyl)methyl]-2-[2-(2-fluorophenoxy)ethyl-methylamino]propanamide
CID 18094687
N-(3-chloro-4-cyanophenyl)-2-[2-(2-chlorophenoxy)ethyl-methylamino]propanamide
CID 24507757
N-(1,3-benzodioxol-5-yl)-2-[2-(2-chlorophenoxy)ethyl-methylamino]propanamide
CID 46631619
2-(2,3-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 46633814
(2R)-N-(2-fluorophenyl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propanamide
CID 51932634
2-[methyl(naphthalen-2-ylmethyl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 24681595
2-(2-chlorophenoxy)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide
CID 55672094
3-(2-methoxyphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 17034567
1-[3-(2-chlorophenoxy)propyl]-3-(2-propan-2-ylphenyl)urea
CID 108883342

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-[2-(trifluoromethyl)phenyl]propanamide (CID 24507754) is 2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-[2-(trifluoromethyl)phenyl]propanamide is CC(C(=O)Nc1ccccc1C(F)(F)F)N(C)CCOc1ccccc1Cl.
What is the InChIKey of 2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is MEPYIMZMSPJGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF3N2O2/c1-13(25(2)11-12-27-17-10-6-4-8-15(17)20)18(26)24-16-9-5-3-7-14(16)19(21,22)23/h3-10,13H,11-12H2,1-2H3,(H,24,26).
What are the key properties of 2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-[2-(trifluoromethyl)phenyl]propanamide?
2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 400.83 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 24507754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).