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

C16H14F3NO2 — CID 19168027

IUPAC3-phenoxy-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCOc1ccccc1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H14F3NO2/c17-16(18,19)13-8-4-5-9-14(13)20-15(21)10-11-22-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,20,21)
InChIKeyZXRNHOSNKAAMOC-UHFFFAOYSA-N
MW309.29 g/mol
LogP4.11
Rot. Bonds5

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

3-phenoxy-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 19168027) has the molecular formula C16H14F3NO2 and a molecular weight of 309.29 g/mol. Its IUPAC name is 3-phenoxy-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-phenoxy-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID19168027
Molecular FormulaC16H14F3NO2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC Name3-phenoxy-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCOc1ccccc1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H14F3NO2/c17-16(18,19)13-8-4-5-9-14(13)20-15(21)10-11-22-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,20,21)
InChIKeyZXRNHOSNKAAMOC-UHFFFAOYSA-N
XLogP4.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 108789991
2-[methyl(3-phenoxypropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 26600684
3-(2-methoxyphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 17034567
4-phenoxy-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]butanamide
CID 19188424
3-[2-(4-methoxyphenoxy)ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109031142
3-(3-phenoxypropylamino)-N-[2-(trifluoromethyl)phenyl]butanamide
CID 119163983
N-(2-aminophenyl)-3-phenoxypropanamide
CID 16790214
N-(2-methylphenyl)-3-phenoxypropanamide
CID 725619
N-(2-iodophenyl)-3-phenoxypropanamide
CID 26087738
3-(4-ethoxyphenoxy)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 24983106
N-[3,5-bis(trifluoromethyl)phenyl]-3-phenoxypropanamide
CID 108795497
4-phenoxy-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide
CID 108934115

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-phenoxy-N-[2-(trifluoromethyl)phenyl]propanamide (CID 19168027) is 3-phenoxy-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-phenoxy-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-phenoxy-N-[2-(trifluoromethyl)phenyl]propanamide is O=C(CCOc1ccccc1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 3-phenoxy-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is ZXRNHOSNKAAMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2/c17-16(18,19)13-8-4-5-9-14(13)20-15(21)10-11-22-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,20,21).
What are the key properties of 3-phenoxy-N-[2-(trifluoromethyl)phenyl]propanamide?
3-phenoxy-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 309.29 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 19168027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).