4-ethoxy-3-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]benzamide

C23H20F3NO3 — CID 5002030

IUPAC4-ethoxy-3-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCc1ccccc1
InChIInChI=1S/C23H20F3NO3/c1-2-29-20-12-11-17(13-21(20)30-15-16-7-4-3-5-8-16)22(28)27-19-10-6-9-18(14-19)23(24,25)26/h3-14H,2,15H2,1H3,(H,27,28)
InChIKeyIIYDFIZPJOCHPX-UHFFFAOYSA-N
MW415.41 g/mol
LogP5.94
Rot. Bonds7

About 4-ethoxy-3-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]benzamide

4-ethoxy-3-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 5002030) has the molecular formula C23H20F3NO3 and a molecular weight of 415.41 g/mol. Its IUPAC name is 4-ethoxy-3-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-3-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID5002030
Molecular FormulaC23H20F3NO3
Molecular Weight415.41 g/mol
Exact Mass415.14
IUPAC Name4-ethoxy-3-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCc1ccccc1
InChIInChI=1S/C23H20F3NO3/c1-2-29-20-12-11-17(13-21(20)30-15-16-7-4-3-5-8-16)22(28)27-19-10-6-9-18(14-19)23(24,25)26/h3-14H,2,15H2,1H3,(H,27,28)
InChIKeyIIYDFIZPJOCHPX-UHFFFAOYSA-N
XLogP5.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.41
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-N-(3-hydroxyphenyl)-4-phenylmethoxybenzamide
CID 126089788
N-(3-chlorophenyl)-3-ethoxy-4-phenylmethoxybenzamide
CID 2192184
3-ethoxy-N-(4-methylphenyl)-4-phenylmethoxybenzamide
CID 126086097
3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 678380
2-(2-phenylmethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 118043131
N-[3-(aminomethyl)phenyl]-3,4-diethoxybenzamide
CID 16778324
3-ethoxy-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 28639289
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
N-[2,5-diethoxy-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 5163768
3-ethoxy-N-(3-iodophenyl)-4-[(4-methylphenyl)methoxy]benzamide
CID 3328427
3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-phenylbenzamide
CID 155154021
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-(trifluoromethyl)benzamide
CID 33128215

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-ethoxy-3-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]benzamide (CID 5002030) is 4-ethoxy-3-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-ethoxy-3-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-ethoxy-3-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]benzamide is CCOc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCc1ccccc1.
What is the InChIKey of 4-ethoxy-3-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is IIYDFIZPJOCHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3NO3/c1-2-29-20-12-11-17(13-21(20)30-15-16-7-4-3-5-8-16)22(28)27-19-10-6-9-18(14-19)23(24,25)26/h3-14H,2,15H2,1H3,(H,27,28).
What are the key properties of 4-ethoxy-3-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]benzamide?
4-ethoxy-3-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 415.41 g/mol, XLogP of 5.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 5002030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).