2-(3,4-dimethylphenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide

C18H18F3NO3 — CID 133166592

IUPAC2-(3,4-dimethylphenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1C
InChIInChI=1S/C18H18F3NO3/c1-11-4-7-16(10-12(11)2)24-13(3)17(23)22-14-5-8-15(9-6-14)25-18(19,20)21/h4-10,13H,1-3H3,(H,22,23)
InChIKeyPXJCBHLDAYXZFR-UHFFFAOYSA-N
MW353.34 g/mol
LogP4.61
Rot. Bonds5

About 2-(3,4-dimethylphenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide

2-(3,4-dimethylphenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide (PubChem CID 133166592) has the molecular formula C18H18F3NO3 and a molecular weight of 353.34 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide
PubChem CID133166592
Molecular FormulaC18H18F3NO3
Molecular Weight353.34 g/mol
Exact Mass353.12
IUPAC Name2-(3,4-dimethylphenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1C
InChIInChI=1S/C18H18F3NO3/c1-11-4-7-16(10-12(11)2)24-13(3)17(23)22-14-5-8-15(9-6-14)25-18(19,20)21/h4-10,13H,1-3H3,(H,22,23)
InChIKeyPXJCBHLDAYXZFR-UHFFFAOYSA-N
XLogP4.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylphenoxy)-N-(4-methylphenyl)propanamide
CID 53266277
(2S)-2-phenoxy-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 934380
N-(4-tert-butylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266599
2-naphthalen-2-yloxy-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 133168907
methyl 4-[2-(3,4-dimethylphenoxy)propanoylamino]benzoate
CID 53266248
2-(2-methylphenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 133166532
N-(4-acetylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266489
ethyl 4-[[(2S)-2-(3,4-dimethylphenoxy)propanoyl]amino]benzoate
CID 889850
(2S)-2-(3,4-dimethylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 890062
[(2S)-1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl] 3-fluoro-4-methylbenzoate
CID 9386793
2-(3,4-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 2937968
(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 95077681

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide (CID 133166592) is 2-(3,4-dimethylphenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide is Cc1ccc(OC(C)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is PXJCBHLDAYXZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO3/c1-11-4-7-16(10-12(11)2)24-13(3)17(23)22-14-5-8-15(9-6-14)25-18(19,20)21/h4-10,13H,1-3H3,(H,22,23).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide?
2-(3,4-dimethylphenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 353.34 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 133166592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).