2-(4-propan-2-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide

C19H20F3NO2 — CID 53266331

IUPAC2-(4-propan-2-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H20F3NO2/c1-12(2)14-8-10-15(11-9-14)25-13(3)18(24)23-17-7-5-4-6-16(17)19(20,21)22/h4-13H,1-3H3,(H,23,24)
InChIKeyDUNRYXCZISNCOD-UHFFFAOYSA-N
MW351.37 g/mol
LogP5.23
Rot. Bonds5

About 2-(4-propan-2-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide

2-(4-propan-2-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 53266331) has the molecular formula C19H20F3NO2 and a molecular weight of 351.37 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-propan-2-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID53266331
Molecular FormulaC19H20F3NO2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC Name2-(4-propan-2-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H20F3NO2/c1-12(2)14-8-10-15(11-9-14)25-13(3)18(24)23-17-7-5-4-6-16(17)19(20,21)22/h4-13H,1-3H3,(H,23,24)
InChIKeyDUNRYXCZISNCOD-UHFFFAOYSA-N
XLogP5.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.37
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 13052546
N-(2-chlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953593
2-methoxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113225450
N-(2-tert-butylphenyl)-2-(4-chlorophenoxy)propanamide
CID 42904434
N-methyl-2-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 17354040
(2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-methoxyphenoxy)propanamide
CID 2202420
2-(2,3-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 46633814
(2S)-2-(2,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 7720105
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(4-chlorophenoxy)propanoate
CID 3253397
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598008
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-phenoxypropanamide
CID 43068367
(2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019889

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(4-propan-2-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide (CID 53266331) is 2-(4-propan-2-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(4-propan-2-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(4-propan-2-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide is CC(Oc1ccc(C(C)C)cc1)C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(4-propan-2-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is DUNRYXCZISNCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO2/c1-12(2)14-8-10-15(11-9-14)25-13(3)18(24)23-17-7-5-4-6-16(17)19(20,21)22/h4-13H,1-3H3,(H,23,24).
What are the key properties of 2-(4-propan-2-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide?
2-(4-propan-2-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 351.37 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 53266331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).