4-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-ethylbenzamide

C19H16F6N2O3 — CID 112836068

IUPAC4-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H16F6N2O3/c1-2-26-17(29)11-3-5-14(6-4-11)27-16(28)10-30-15-8-12(18(20,21)22)7-13(9-15)19(23,24)25/h3-9H,2,10H2,1H3,(H,26,29)(H,27,28)
InChIKeyFGPHHBNVFCAHJP-UHFFFAOYSA-N
MW434.34 g/mol
LogP4.49
Rot. Bonds6

About 4-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-ethylbenzamide

4-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-ethylbenzamide (PubChem CID 112836068) has the molecular formula C19H16F6N2O3 and a molecular weight of 434.34 g/mol. Its IUPAC name is 4-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-ethylbenzamide.

Molecular Properties

Compound Name4-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-ethylbenzamide
PubChem CID112836068
Molecular FormulaC19H16F6N2O3
Molecular Weight434.34 g/mol
Exact Mass434.11
IUPAC Name4-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H16F6N2O3/c1-2-26-17(29)11-3-5-14(6-4-11)27-16(28)10-30-15-8-12(18(20,21)22)7-13(9-15)19(23,24)25/h3-9H,2,10H2,1H3,(H,26,29)(H,27,28)
InChIKeyFGPHHBNVFCAHJP-UHFFFAOYSA-N
XLogP4.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.34
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 2621495
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 2080031
2-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 16526088
2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100757803
4-[(2-ethoxyacetyl)amino]-N-ethylbenzamide
CID 60793697
2-[3,5-bis(trifluoromethyl)phenoxy]-N-quinoxalin-6-ylacetamide
CID 112845789
methyl 2-[[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzoyl]amino]acetate
CID 9049177
methyl 3-[4-(ethylcarbamoyl)anilino]-3-oxopropanoate
CID 28638135
4-butoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 4288928
methyl 2-[[4-[[2-(4-ethoxyphenoxy)acetyl]amino]benzoyl]amino]acetate
CID 46637026
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 27916887
4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-ethylbenzamide
CID 17234319

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-ethylbenzamide?
The IUPAC name of 4-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-ethylbenzamide (CID 112836068) is 4-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-ethylbenzamide.
What is the SMILES notation for 4-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-ethylbenzamide?
The canonical SMILES for 4-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-ethylbenzamide is CCNC(=O)c1ccc(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-ethylbenzamide?
The InChIKey is FGPHHBNVFCAHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F6N2O3/c1-2-26-17(29)11-3-5-14(6-4-11)27-16(28)10-30-15-8-12(18(20,21)22)7-13(9-15)19(23,24)25/h3-9H,2,10H2,1H3,(H,26,29)(H,27,28).
What are the key properties of 4-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-ethylbenzamide?
4-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-ethylbenzamide has a molecular weight of 434.34 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-ethylbenzamide is sourced from PubChem (CID 112836068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).