2-(3-methylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide

C16H14F3NO2 — CID 823602

IUPAC2-(3-methylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCc1cccc(OCC(=O)Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C16H14F3NO2/c1-11-5-4-6-12(9-11)22-10-15(21)20-14-8-3-2-7-13(14)16(17,18)19/h2-9H,10H2,1H3,(H,20,21)
InChIKeyQJTYLPXWLRAEBQ-UHFFFAOYSA-N
MW309.29 g/mol
LogP4.03
Rot. Bonds4

About 2-(3-methylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide

2-(3-methylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 823602) has the molecular formula C16H14F3NO2 and a molecular weight of 309.29 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID823602
Molecular FormulaC16H14F3NO2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC Name2-(3-methylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCc1cccc(OCC(=O)Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C16H14F3NO2/c1-11-5-4-6-12(9-11)22-10-15(21)20-14-8-3-2-7-13(14)16(17,18)19/h2-9H,10H2,1H3,(H,20,21)
InChIKeyQJTYLPXWLRAEBQ-UHFFFAOYSA-N
XLogP4.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Ethoxy-2'-ethyloxanilide
CID 90303
Naproanilide
CID 40413
N-(4-Methoxy-2-methylphenyl)-acetamide
CID 95082
Phenoxyacetanilide
CID 264248
N-(2,3-dihydro-1H-inden-5-yl)-2-(2-fluorophenoxy)acetamide
CID 903893
2,3-Dihydro-N-(2-methylphenyl)-1,4-benzodioxin-2-carboxamide
CID 2788358
N-(4-methylphenyl)-3-phenoxypropanamide
CID 725622
N-[2-(Benzyloxy)phenyl]acetamide
CID 4683060
N-(2-methoxyphenyl)-2-phenoxyacetamide
CID 721262
N-(4-methylphenyl)-2-phenoxyacetamide
CID 689977
N-[2-(3-bromophenoxy)-5-(trifluoromethyl)phenyl]-2-ethoxyacetamide
CID 1631654
[2-(2-Oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethoxy)phenyl]phosphonic acid
CID 17588019

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 823602) is 2-(3-methylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide is Cc1cccc(OCC(=O)Nc2ccccc2C(F)(F)F)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is QJTYLPXWLRAEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2/c1-11-5-4-6-12(9-11)22-10-15(21)20-14-8-3-2-7-13(14)16(17,18)19/h2-9H,10H2,1H3,(H,20,21).
What are the key properties of 2-(3-methylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(3-methylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 309.29 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 823602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).