4-[2-(2-fluoro-4-methylphenyl)ethoxy]-2,6-dimethyl-N-[2-(trifluoromethyl)phenyl]benzamide

C25H23F4NO2 — CID 167140918

IUPAC4-[2-(2-fluoro-4-methylphenyl)ethoxy]-2,6-dimethyl-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(CCOc2cc(C)c(C(=O)Nc3ccccc3C(F)(F)F)c(C)c2)c(F)c1
InChIInChI=1S/C25H23F4NO2/c1-15-8-9-18(21(26)12-15)10-11-32-19-13-16(2)23(17(3)14-19)24(31)30-22-7-5-4-6-20(22)25(27,28)29/h4-9,12-14H,10-11H2,1-3H3,(H,30,31)
InChIKeyXKZWAQLAAGTXFJ-UHFFFAOYSA-N
MW445.46 g/mol
LogP6.64
Rot. Bonds6

About 4-[2-(2-fluoro-4-methylphenyl)ethoxy]-2,6-dimethyl-N-[2-(trifluoromethyl)phenyl]benzamide

4-[2-(2-fluoro-4-methylphenyl)ethoxy]-2,6-dimethyl-N-[2-(trifluoromethyl)phenyl]benzamide (PubChem CID 167140918) has the molecular formula C25H23F4NO2 and a molecular weight of 445.46 g/mol. Its IUPAC name is 4-[2-(2-fluoro-4-methylphenyl)ethoxy]-2,6-dimethyl-N-[2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-[2-(2-fluoro-4-methylphenyl)ethoxy]-2,6-dimethyl-N-[2-(trifluoromethyl)phenyl]benzamide
PubChem CID167140918
Molecular FormulaC25H23F4NO2
Molecular Weight445.46 g/mol
Exact Mass445.17
IUPAC Name4-[2-(2-fluoro-4-methylphenyl)ethoxy]-2,6-dimethyl-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(CCOc2cc(C)c(C(=O)Nc3ccccc3C(F)(F)F)c(C)c2)c(F)c1
InChIInChI=1S/C25H23F4NO2/c1-15-8-9-18(21(26)12-15)10-11-32-19-13-16(2)23(17(3)14-19)24(31)30-22-7-5-4-6-20(22)25(27,28)29/h4-9,12-14H,10-11H2,1-3H3,(H,30,31)
InChIKeyXKZWAQLAAGTXFJ-UHFFFAOYSA-N
XLogP6.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.46
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-4-[2-(2-fluorophenyl)ethoxy]-2,6-dimethylbenzamide
CID 175747505
3-[3-[[2,6-dimethyl-4-(2-phenylethoxy)benzoyl]amino]-4-(trifluoromethyl)phenyl]-2-methylpropanoic acid
CID 155451518
cis-(1R,2S)-2-[3-[[2,6-dimethyl-4-(2-phenylethoxy)benzoyl]amino]-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
CID 155451534
2-chloro-4-(2-phenylethoxy)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 155451593
1-(2-fluoro-5-methylphenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 46859836
1,4,6-trimethyl-2-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860792
2-amino-5-methyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 62511382
4-[(4-methylphenoxy)methyl]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 3304613
2,6-dimethyl-4-(6-methyl-3-pyridinyl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 167141010
1-[(2,4-dimethylphenoxy)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 108870558
2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8928696
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2,5-dimethylbenzoate
CID 2520046

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluoro-4-methylphenyl)ethoxy]-2,6-dimethyl-N-[2-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-[2-(2-fluoro-4-methylphenyl)ethoxy]-2,6-dimethyl-N-[2-(trifluoromethyl)phenyl]benzamide (CID 167140918) is 4-[2-(2-fluoro-4-methylphenyl)ethoxy]-2,6-dimethyl-N-[2-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-[2-(2-fluoro-4-methylphenyl)ethoxy]-2,6-dimethyl-N-[2-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-[2-(2-fluoro-4-methylphenyl)ethoxy]-2,6-dimethyl-N-[2-(trifluoromethyl)phenyl]benzamide is Cc1ccc(CCOc2cc(C)c(C(=O)Nc3ccccc3C(F)(F)F)c(C)c2)c(F)c1.
What is the InChIKey of 4-[2-(2-fluoro-4-methylphenyl)ethoxy]-2,6-dimethyl-N-[2-(trifluoromethyl)phenyl]benzamide?
The InChIKey is XKZWAQLAAGTXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F4NO2/c1-15-8-9-18(21(26)12-15)10-11-32-19-13-16(2)23(17(3)14-19)24(31)30-22-7-5-4-6-20(22)25(27,28)29/h4-9,12-14H,10-11H2,1-3H3,(H,30,31).
What are the key properties of 4-[2-(2-fluoro-4-methylphenyl)ethoxy]-2,6-dimethyl-N-[2-(trifluoromethyl)phenyl]benzamide?
4-[2-(2-fluoro-4-methylphenyl)ethoxy]-2,6-dimethyl-N-[2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 445.46 g/mol, XLogP of 6.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluoro-4-methylphenyl)ethoxy]-2,6-dimethyl-N-[2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 167140918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).