2-[benzyl(methyl)amino]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide

C21H24F3N3O2 — CID 42919555

IUPAC2-[benzyl(methyl)amino]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
SMILESCC(C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)N(C)Cc1ccccc1
InChIInChI=1S/C21H24F3N3O2/c1-15(26(2)13-16-9-5-4-6-10-16)20(29)27(3)14-19(28)25-18-12-8-7-11-17(18)21(22,23)24/h4-12,15H,13-14H2,1-3H3,(H,25,28)
InChIKeyBBOYEWGCOUTUGL-UHFFFAOYSA-N
MW407.44 g/mol
LogP3.62
Rot. Bonds7

About 2-[benzyl(methyl)amino]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide

2-[benzyl(methyl)amino]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide (PubChem CID 42919555) has the molecular formula C21H24F3N3O2 and a molecular weight of 407.44 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
PubChem CID42919555
Molecular FormulaC21H24F3N3O2
Molecular Weight407.44 g/mol
Exact Mass407.18
IUPAC Name2-[benzyl(methyl)amino]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
SMILESCC(C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)N(C)Cc1ccccc1
InChIInChI=1S/C21H24F3N3O2/c1-15(26(2)13-16-9-5-4-6-10-16)20(29)27(3)14-19(28)25-18-12-8-7-11-17(18)21(22,23)24/h4-12,15H,13-14H2,1-3H3,(H,25,28)
InChIKeyBBOYEWGCOUTUGL-UHFFFAOYSA-N
XLogP3.62
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanoic acid
CID 119913712
2-[methyl-[2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-2-oxoethyl]amino]propanoic acid
CID 119913186
2-acetamido-N,3-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide
CID 18112777
N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3,3-diphenylpropanamide
CID 26897747
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
2-[methyl(naphthalen-2-ylmethyl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 24681595
2-[(2-benzylsulfanylacetyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24981104
N-[(2S,3S)-3-methyl-1-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-1-oxopentan-2-yl]benzamide
CID 24545770
2-[(2-chloroacetyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2095781
(2R)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 98539892
2-[(2-chlorophenyl)methyl-methylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 55439456
2-chloro-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 18112781

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide (CID 42919555) is 2-[benzyl(methyl)amino]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide is CC(C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)N(C)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide?
The InChIKey is BBOYEWGCOUTUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O2/c1-15(26(2)13-16-9-5-4-6-10-16)20(29)27(3)14-19(28)25-18-12-8-7-11-17(18)21(22,23)24/h4-12,15H,13-14H2,1-3H3,(H,25,28).
What are the key properties of 2-[benzyl(methyl)amino]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide?
2-[benzyl(methyl)amino]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide has a molecular weight of 407.44 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide is sourced from PubChem (CID 42919555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).