3-ethoxy-4-[(4-methylphenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide

C24H22F3NO3 — CID 3450576

IUPAC3-ethoxy-4-[(4-methylphenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESCCOc1cc(C(=O)Nc2ccccc2C(F)(F)F)ccc1OCc1ccc(C)cc1
InChIInChI=1S/C24H22F3NO3/c1-3-30-22-14-18(12-13-21(22)31-15-17-10-8-16(2)9-11-17)23(29)28-20-7-5-4-6-19(20)24(25,26)27/h4-14H,3,15H2,1-2H3,(H,28,29)
InChIKeyMGGVKDCZBWQBOH-UHFFFAOYSA-N
MW429.44 g/mol
LogP6.24
Rot. Bonds7

About 3-ethoxy-4-[(4-methylphenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide

3-ethoxy-4-[(4-methylphenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide (PubChem CID 3450576) has the molecular formula C24H22F3NO3 and a molecular weight of 429.44 g/mol. Its IUPAC name is 3-ethoxy-4-[(4-methylphenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-ethoxy-4-[(4-methylphenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide
PubChem CID3450576
Molecular FormulaC24H22F3NO3
Molecular Weight429.44 g/mol
Exact Mass429.16
IUPAC Name3-ethoxy-4-[(4-methylphenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESCCOc1cc(C(=O)Nc2ccccc2C(F)(F)F)ccc1OCc1ccc(C)cc1
InChIInChI=1S/C24H22F3NO3/c1-3-30-22-14-18(12-13-21(22)31-15-17-10-8-16(2)9-11-17)23(29)28-20-7-5-4-6-19(20)24(25,26)27/h4-14H,3,15H2,1-2H3,(H,28,29)
InChIKeyMGGVKDCZBWQBOH-UHFFFAOYSA-N
XLogP6.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.44
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-methylphenoxy)methyl]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 3304613
3-ethoxy-N-(4-methylphenyl)-4-phenylmethoxybenzamide
CID 126086097
3-ethoxy-N-(3-iodophenyl)-4-[(4-methylphenyl)methoxy]benzamide
CID 3328427
3-ethoxy-N-(2-methoxyphenyl)-4-phenylmethoxybenzamide
CID 126087524
4-ethoxy-3-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 5002030
N-(2,4-dimethylphenyl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 25337421
3,4-diethoxy-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 34752310
1-N-(4-methylphenyl)-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109056986
N-benzyl-3-ethoxy-4-phenylmethoxybenzamide
CID 2192321
3,4-diethoxy-N-(2-methoxyphenyl)benzamide
CID 669527
3,4-diethoxy-N-[2-(methylaminomethyl)phenyl]benzamide
CID 119437877
3,4-diethoxy-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 119438964

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-[(4-methylphenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-ethoxy-4-[(4-methylphenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide (CID 3450576) is 3-ethoxy-4-[(4-methylphenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-ethoxy-4-[(4-methylphenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-ethoxy-4-[(4-methylphenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide is CCOc1cc(C(=O)Nc2ccccc2C(F)(F)F)ccc1OCc1ccc(C)cc1.
What is the InChIKey of 3-ethoxy-4-[(4-methylphenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide?
The InChIKey is MGGVKDCZBWQBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3NO3/c1-3-30-22-14-18(12-13-21(22)31-15-17-10-8-16(2)9-11-17)23(29)28-20-7-5-4-6-19(20)24(25,26)27/h4-14H,3,15H2,1-2H3,(H,28,29).
What are the key properties of 3-ethoxy-4-[(4-methylphenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide?
3-ethoxy-4-[(4-methylphenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 429.44 g/mol, XLogP of 6.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-[(4-methylphenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 3450576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).