2-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide

C12H14F3NO3 — CID 112685720

IUPAC2-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide
SMILESCOC(C)C(=O)Nc1ccccc1OCC(F)(F)F
InChIInChI=1S/C12H14F3NO3/c1-8(18-2)11(17)16-9-5-3-4-6-10(9)19-7-12(13,14)15/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKeyFAFNKSYFIDUBRW-UHFFFAOYSA-N
MW277.24 g/mol
LogP2.60
Rot. Bonds5

About 2-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide

2-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide (PubChem CID 112685720) has the molecular formula C12H14F3NO3 and a molecular weight of 277.24 g/mol. Its IUPAC name is 2-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide
PubChem CID112685720
Molecular FormulaC12H14F3NO3
Molecular Weight277.24 g/mol
Exact Mass277.09
IUPAC Name2-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide
SMILESCOC(C)C(=O)Nc1ccccc1OCC(F)(F)F
InChIInChI=1S/C12H14F3NO3/c1-8(18-2)11(17)16-9-5-3-4-6-10(9)19-7-12(13,14)15/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKeyFAFNKSYFIDUBRW-UHFFFAOYSA-N
XLogP2.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113225450
3-amino-2-methyl-3-phenyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride
CID 119700402
methyl 2-[2-(2,2,2-trifluoroethoxy)anilino]propanoate
CID 66174109
(2S)-2-amino-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 119315205
2-cyano-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 168520948
2-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]pentanamide
CID 60848771
N-(2-carbamothioylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 43105337
3-bromo-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 41369739
2-methoxy-N-(2-propan-2-ylphenyl)propanamide
CID 86811936
2-methoxy-N-[2-(4-methylphenoxy)phenyl]propanamide
CID 75835937
3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-methyl-3-phenylpropanamide
CID 119702544
3-piperidin-4-yl-N-[2-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 119700416

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide?
The IUPAC name of 2-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide (CID 112685720) is 2-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide.
What is the SMILES notation for 2-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide?
The canonical SMILES for 2-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide is COC(C)C(=O)Nc1ccccc1OCC(F)(F)F.
What is the InChIKey of 2-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide?
The InChIKey is FAFNKSYFIDUBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3/c1-8(18-2)11(17)16-9-5-3-4-6-10(9)19-7-12(13,14)15/h3-6,8H,7H2,1-2H3,(H,16,17).
What are the key properties of 2-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide?
2-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide has a molecular weight of 277.24 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide is sourced from PubChem (CID 112685720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).