2-(2,3-dichlorophenoxy)-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide

C20H19Cl2F3N2O3 — CID 60557697

IUPAC2-(2,3-dichlorophenoxy)-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide
SMILESCCN(Cc1cccc(NC(=O)C(C)Oc2cccc(Cl)c2Cl)c1)C(=O)C(F)(F)F
InChIInChI=1S/C20H19Cl2F3N2O3/c1-3-27(19(29)20(23,24)25)11-13-6-4-7-14(10-13)26-18(28)12(2)30-16-9-5-8-15(21)17(16)22/h4-10,12H,3,11H2,1-2H3,(H,26,28)
InChIKeyOMHRTJOCAOTKKW-UHFFFAOYSA-N
MW463.28 g/mol
LogP5.31
Rot. Bonds7

About 2-(2,3-dichlorophenoxy)-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide

2-(2,3-dichlorophenoxy)-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide (PubChem CID 60557697) has the molecular formula C20H19Cl2F3N2O3 and a molecular weight of 463.28 g/mol. Its IUPAC name is 2-(2,3-dichlorophenoxy)-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide.

Molecular Properties

Compound Name2-(2,3-dichlorophenoxy)-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide
PubChem CID60557697
Molecular FormulaC20H19Cl2F3N2O3
Molecular Weight463.28 g/mol
Exact Mass462.07
IUPAC Name2-(2,3-dichlorophenoxy)-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide
SMILESCCN(Cc1cccc(NC(=O)C(C)Oc2cccc(Cl)c2Cl)c1)C(=O)C(F)(F)F
InChIInChI=1S/C20H19Cl2F3N2O3/c1-3-27(19(29)20(23,24)25)11-13-6-4-7-14(10-13)26-18(28)12(2)30-16-9-5-8-15(21)17(16)22/h4-10,12H,3,11H2,1-2H3,(H,26,28)
InChIKeyOMHRTJOCAOTKKW-UHFFFAOYSA-N
XLogP5.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.28
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,3-dichlorophenoxy)-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide with MolForge

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Related Compounds

2-(2-bromo-4-methylphenoxy)-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide
CID 55778154
(2S)-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-methylsulfanylpropanamide
CID 94809125
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 55873159
3-chloro-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-4,5-dimethoxybenzamide
CID 43068667
(2R)-2-(2,3-dichlorophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 7787703
2-(2,3-dichlorophenoxy)-N-(4-fluorophenyl)propanamide
CID 42990420
N-[3-[[(2S)-2-(2,3-dichlorophenoxy)propanoyl]amino]phenyl]benzamide
CID 118259670
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(2,3-dichlorophenoxy)propanamide
CID 43078117
N-[[3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]methyl]-N-ethyl-2,2,2-trifluoroacetamide
CID 43068641
(2R)-2-(2,4-dichlorophenoxy)-N-(3-ethylphenyl)propanamide
CID 874427
2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)propanamide
CID 42990450
1-[(2-chlorophenyl)methyl]-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-6-oxopyridine-3-carboxamide
CID 112822360

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenoxy)-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide?
The IUPAC name of 2-(2,3-dichlorophenoxy)-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide (CID 60557697) is 2-(2,3-dichlorophenoxy)-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide.
What is the SMILES notation for 2-(2,3-dichlorophenoxy)-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide?
The canonical SMILES for 2-(2,3-dichlorophenoxy)-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide is CCN(Cc1cccc(NC(=O)C(C)Oc2cccc(Cl)c2Cl)c1)C(=O)C(F)(F)F.
What is the InChIKey of 2-(2,3-dichlorophenoxy)-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide?
The InChIKey is OMHRTJOCAOTKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2F3N2O3/c1-3-27(19(29)20(23,24)25)11-13-6-4-7-14(10-13)26-18(28)12(2)30-16-9-5-8-15(21)17(16)22/h4-10,12H,3,11H2,1-2H3,(H,26,28).
What are the key properties of 2-(2,3-dichlorophenoxy)-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide?
2-(2,3-dichlorophenoxy)-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide has a molecular weight of 463.28 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenoxy)-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide is sourced from PubChem (CID 60557697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).