3-acetamido-N-[2-(trifluoromethyl)phenyl]propanamide

C12H13F3N2O2 — CID 2521195

IUPAC3-acetamido-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCC(=O)NCCC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C12H13F3N2O2/c1-8(18)16-7-6-11(19)17-10-5-3-2-4-9(10)12(13,14)15/h2-5H,6-7H2,1H3,(H,16,18)(H,17,19)
InChIKeyFHKHUXAJOYJRNP-UHFFFAOYSA-N
MW274.24 g/mol
LogP2.17
Rot. Bonds4

About 3-acetamido-N-[2-(trifluoromethyl)phenyl]propanamide

3-acetamido-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 2521195) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 3-acetamido-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-acetamido-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID2521195
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name3-acetamido-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCC(=O)NCCC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C12H13F3N2O2/c1-8(18)16-7-6-11(19)17-10-5-3-2-4-9(10)12(13,14)15/h2-5H,6-7H2,1H3,(H,16,18)(H,17,19)
InChIKeyFHKHUXAJOYJRNP-UHFFFAOYSA-N
XLogP2.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-acetamido-N-[2-(trifluoromethyl)phenyl]propanamide (CID 2521195) is 3-acetamido-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-acetamido-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-acetamido-N-[2-(trifluoromethyl)phenyl]propanamide is CC(=O)NCCC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 3-acetamido-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is FHKHUXAJOYJRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c1-8(18)16-7-6-11(19)17-10-5-3-2-4-9(10)12(13,14)15/h2-5H,6-7H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 3-acetamido-N-[2-(trifluoromethyl)phenyl]propanamide?
3-acetamido-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 274.24 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 2521195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).