2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-5-(trifluoromethyl)benzamide

C12H13F3N2O2 — CID 140559986

IUPAC2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-5-(trifluoromethyl)benzamide
SMILESCNC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1C(N)=O
InChIInChI=1S/C12H13F3N2O2/c1-6(11(19)17-2)8-4-3-7(12(13,14)15)5-9(8)10(16)18/h3-6H,1-2H3,(H2,16,18)(H,17,19)/t6-/m0/s1
InChIKeyAXDGNBPYMGLFMT-LURJTMIESA-N
MW274.24 g/mol
LogP1.65
Rot. Bonds3

About 2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-5-(trifluoromethyl)benzamide

2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-5-(trifluoromethyl)benzamide (PubChem CID 140559986) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-5-(trifluoromethyl)benzamide
PubChem CID140559986
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-5-(trifluoromethyl)benzamide
SMILESCNC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1C(N)=O
InChIInChI=1S/C12H13F3N2O2/c1-6(11(19)17-2)8-4-3-7(12(13,14)15)5-9(8)10(16)18/h3-6H,1-2H3,(H2,16,18)(H,17,19)/t6-/m0/s1
InChIKeyAXDGNBPYMGLFMT-LURJTMIESA-N
XLogP1.65
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 140559964
2-N-methyl-4-(trifluoromethyl)benzene-1,2-dicarboxamide
CID 70098702
2-(methylamino)-5-(trifluoromethyl)benzamide
CID 71246779
N-[2-carbamothioyl-4-(trifluoromethyl)phenyl]-2-methylpropanamide
CID 112556231
2-chloro-5-(trifluoromethyl)benzamide;dihydrochloride
CID 22563834
2-fluoro-5-(trifluoromethyl)benzamide;hydrobromide
CID 68534257
(2R)-2-[2,5-bis(trifluoromethyl)phenyl]propanamide
CID 87488611
2-[hydroxy(methoxy)methyl]-4-(trifluoromethyl)benzamide
CID 91391069
3-[2-carbamoyl-N-methyl-4-(trifluoromethyl)anilino]propanoic acid
CID 60986639
2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N-methylpropanamide
CID 81176309
2-methoxy-4-(trifluoromethyl)benzamide
CID 3788214
2-(methylcarbamoylamino)-5-(trifluoromethyl)benzoic acid
CID 22268814

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-5-(trifluoromethyl)benzamide (CID 140559986) is 2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-5-(trifluoromethyl)benzamide is CNC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1C(N)=O.
What is the InChIKey of 2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-5-(trifluoromethyl)benzamide?
The InChIKey is AXDGNBPYMGLFMT-LURJTMIESA-N. The full InChI is InChI=1S/C12H13F3N2O2/c1-6(11(19)17-2)8-4-3-7(12(13,14)15)5-9(8)10(16)18/h3-6H,1-2H3,(H2,16,18)(H,17,19)/t6-/m0/s1.
What are the key properties of 2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-5-(trifluoromethyl)benzamide?
2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-5-(trifluoromethyl)benzamide has a molecular weight of 274.24 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 140559986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).