2-(2-methylphenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide

C17H16F3NO3 — CID 133166532

IUPAC2-(2-methylphenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCc1ccccc1OC(C)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO3/c1-11-5-3-4-6-15(11)23-12(2)16(22)21-13-7-9-14(10-8-13)24-17(18,19)20/h3-10,12H,1-2H3,(H,21,22)
InChIKeyAMLGDVTVPGKXQB-UHFFFAOYSA-N
MW339.31 g/mol
LogP4.30
Rot. Bonds5

About 2-(2-methylphenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide

2-(2-methylphenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide (PubChem CID 133166532) has the molecular formula C17H16F3NO3 and a molecular weight of 339.31 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide
PubChem CID133166532
Molecular FormulaC17H16F3NO3
Molecular Weight339.31 g/mol
Exact Mass339.11
IUPAC Name2-(2-methylphenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCc1ccccc1OC(C)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO3/c1-11-5-3-4-6-15(11)23-12(2)16(22)21-13-7-9-14(10-8-13)24-17(18,19)20/h3-10,12H,1-2H3,(H,21,22)
InChIKeyAMLGDVTVPGKXQB-UHFFFAOYSA-N
XLogP4.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 17340229
(2S)-2-phenoxy-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 934380
2-(3,4-dimethylphenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 133166592
(2R)-N-(4-hydroxyphenyl)-2-(2-methylphenoxy)propanamide
CID 837411
2-naphthalen-2-yloxy-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 133168907
N-[4-[2-(2-methylphenoxy)propanoylamino]phenyl]benzamide
CID 17235390
(2S)-2-(2-methylphenoxy)-N-[3-[[(2R)-2-(2-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019898
(2R)-2-(2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 1254376
N-(4-bromo-3-methylphenyl)-2-(2-methylphenoxy)propanamide
CID 43876544
2-(2-methylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 133166702
(2S)-2-chloro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 2304863
2-(2,3-dimethylphenoxy)-N-phenylpropanamide
CID 43909351

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide (CID 133166532) is 2-(2-methylphenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide is Cc1ccccc1OC(C)C(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(2-methylphenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is AMLGDVTVPGKXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO3/c1-11-5-3-4-6-15(11)23-12(2)16(22)21-13-7-9-14(10-8-13)24-17(18,19)20/h3-10,12H,1-2H3,(H,21,22).
What are the key properties of 2-(2-methylphenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide?
2-(2-methylphenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 339.31 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 133166532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).