4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide

C17H16F3NO2 — CID 30349954

IUPAC4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCOc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H16F3NO2/c1-12-5-7-13(8-6-12)16(22)21-9-10-23-15-4-2-3-14(11-15)17(18,19)20/h2-8,11H,9-10H2,1H3,(H,21,22)
InChIKeyQAZYYCCIFYJTBW-UHFFFAOYSA-N
MW323.31 g/mol
LogP3.82
Rot. Bonds5

About 4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide

4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide (PubChem CID 30349954) has the molecular formula C17H16F3NO2 and a molecular weight of 323.31 g/mol. Its IUPAC name is 4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
PubChem CID30349954
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC Name4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCOc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H16F3NO2/c1-12-5-7-13(8-6-12)16(22)21-9-10-23-15-4-2-3-14(11-15)17(18,19)20/h2-8,11H,9-10H2,1H3,(H,21,22)
InChIKeyQAZYYCCIFYJTBW-UHFFFAOYSA-N
XLogP3.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 27859219
4-ethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30350028
N-[2-(4-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 8960957
3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30350054
4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30865966
4-methoxy-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenoxy]ethylamino]ethyl]benzamide
CID 47059239
4-bromo-3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 55803408
N-[3-(3-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide
CID 142629548
(2R)-2-amino-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide
CID 119296655
4-(trifluoromethyl)-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]benzamide
CID 90575873
(2S)-2-amino-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride
CID 119296638
1-acetyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]-2,3-dihydroindole-5-carboxamide
CID 55803063

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide?
The IUPAC name of 4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide (CID 30349954) is 4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide is Cc1ccc(C(=O)NCCOc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide?
The InChIKey is QAZYYCCIFYJTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2/c1-12-5-7-13(8-6-12)16(22)21-9-10-23-15-4-2-3-14(11-15)17(18,19)20/h2-8,11H,9-10H2,1H3,(H,21,22).
What are the key properties of 4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide?
4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide has a molecular weight of 323.31 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide is sourced from PubChem (CID 30349954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).