2-methyl-N-[3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]propanamide

C19H19F3N2O3 — CID 18870141

IUPAC2-methyl-N-[3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]propanamide
SMILESCC(C)C(=O)Nc1cccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H19F3N2O3/c1-12(2)18(26)24-15-7-4-8-16(10-15)27-11-17(25)23-14-6-3-5-13(9-14)19(20,21)22/h3-10,12H,11H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyOPCNCMREJJOBHO-UHFFFAOYSA-N
MW380.37 g/mol
LogP4.32
Rot. Bonds6

About 2-methyl-N-[3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]propanamide

2-methyl-N-[3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]propanamide (PubChem CID 18870141) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is 2-methyl-N-[3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]propanamide
PubChem CID18870141
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC Name2-methyl-N-[3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]propanamide
SMILESCC(C)C(=O)Nc1cccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H19F3N2O3/c1-12(2)18(26)24-15-7-4-8-16(10-15)27-11-17(25)23-14-6-3-5-13(9-14)19(20,21)22/h3-10,12H,11H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyOPCNCMREJJOBHO-UHFFFAOYSA-N
XLogP4.32
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 4733098
N-[3-[[2-(3-methoxyphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
CID 87016346
N-(3-ethylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 34280640
N-(3-prop-2-enoxyphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 95162922
2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100757803
3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
CID 18084407
2-(4-bromophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1177163
2-methyl-N-[3-[2-oxo-2-(4-sulfamoylanilino)ethoxy]phenyl]propanamide
CID 18870118
2-[2-propan-2-yl-5-(trifluoromethyl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 21204509
N-methyl-2-[4-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]phenyl]acetamide
CID 35364913
N-[3-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]-2-methylpropanamide
CID 18870146
N-[3-[[2-(2-tert-butylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
CID 17189278

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]propanamide (CID 18870141) is 2-methyl-N-[3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]propanamide is CC(C)C(=O)Nc1cccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 2-methyl-N-[3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]propanamide?
The InChIKey is OPCNCMREJJOBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c1-12(2)18(26)24-15-7-4-8-16(10-15)27-11-17(25)23-14-6-3-5-13(9-14)19(20,21)22/h3-10,12H,11H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 2-methyl-N-[3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]propanamide?
2-methyl-N-[3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]propanamide has a molecular weight of 380.37 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]propanamide is sourced from PubChem (CID 18870141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).