2-methyl-N-[(1S)-3,3,3-trifluoro-1-methoxypropyl]benzamide

C12H14F3NO2 — CID 166443914

IUPAC2-methyl-N-[(1S)-3,3,3-trifluoro-1-methoxypropyl]benzamide
SMILESCO[C@@H](CC(F)(F)F)NC(=O)c1ccccc1C
InChIInChI=1S/C12H14F3NO2/c1-8-5-3-4-6-9(8)11(17)16-10(18-2)7-12(13,14)15/h3-6,10H,7H2,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeyLWAFXGXCSCCKMC-JTQLQIEISA-N
MW261.24 g/mol
LogP2.65
Rot. Bonds4

About 2-methyl-N-[(1S)-3,3,3-trifluoro-1-methoxypropyl]benzamide

2-methyl-N-[(1S)-3,3,3-trifluoro-1-methoxypropyl]benzamide (PubChem CID 166443914) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2-methyl-N-[(1S)-3,3,3-trifluoro-1-methoxypropyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(1S)-3,3,3-trifluoro-1-methoxypropyl]benzamide
PubChem CID166443914
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name2-methyl-N-[(1S)-3,3,3-trifluoro-1-methoxypropyl]benzamide
SMILESCO[C@@H](CC(F)(F)F)NC(=O)c1ccccc1C
InChIInChI=1S/C12H14F3NO2/c1-8-5-3-4-6-9(8)11(17)16-10(18-2)7-12(13,14)15/h3-6,10H,7H2,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeyLWAFXGXCSCCKMC-JTQLQIEISA-N
XLogP2.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1S)-3,3,3-trifluoro-1-methoxypropyl]benzamide?
The IUPAC name of 2-methyl-N-[(1S)-3,3,3-trifluoro-1-methoxypropyl]benzamide (CID 166443914) is 2-methyl-N-[(1S)-3,3,3-trifluoro-1-methoxypropyl]benzamide.
What is the SMILES notation for 2-methyl-N-[(1S)-3,3,3-trifluoro-1-methoxypropyl]benzamide?
The canonical SMILES for 2-methyl-N-[(1S)-3,3,3-trifluoro-1-methoxypropyl]benzamide is CO[C@@H](CC(F)(F)F)NC(=O)c1ccccc1C.
What is the InChIKey of 2-methyl-N-[(1S)-3,3,3-trifluoro-1-methoxypropyl]benzamide?
The InChIKey is LWAFXGXCSCCKMC-JTQLQIEISA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-8-5-3-4-6-9(8)11(17)16-10(18-2)7-12(13,14)15/h3-6,10H,7H2,1-2H3,(H,16,17)/t10-/m0/s1.
What are the key properties of 2-methyl-N-[(1S)-3,3,3-trifluoro-1-methoxypropyl]benzamide?
2-methyl-N-[(1S)-3,3,3-trifluoro-1-methoxypropyl]benzamide has a molecular weight of 261.24 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1S)-3,3,3-trifluoro-1-methoxypropyl]benzamide is sourced from PubChem (CID 166443914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).