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

C18H13F7N2O3 — CID 16526088

IUPAC2-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-(4-fluorophenyl)acetamide
SMILESO=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H13F7N2O3/c19-12-1-3-13(4-2-12)27-15(28)8-26-16(29)9-30-14-6-10(17(20,21)22)5-11(7-14)18(23,24)25/h1-7H,8-9H2,(H,26,29)(H,27,28)
InChIKeyJOCKOPXNNVJJDB-UHFFFAOYSA-N
MW438.30 g/mol
LogP4.00
Rot. Bonds6

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

2-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-(4-fluorophenyl)acetamide (PubChem CID 16526088) has the molecular formula C18H13F7N2O3 and a molecular weight of 438.30 g/mol. Its IUPAC name is 2-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-(4-fluorophenyl)acetamide
PubChem CID16526088
Molecular FormulaC18H13F7N2O3
Molecular Weight438.30 g/mol
Exact Mass438.08
IUPAC Name2-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-(4-fluorophenyl)acetamide
SMILESO=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H13F7N2O3/c19-12-1-3-13(4-2-12)27-15(28)8-26-16(29)9-30-14-6-10(17(20,21)22)5-11(7-14)18(23,24)25/h1-7H,8-9H2,(H,26,29)(H,27,28)
InChIKeyJOCKOPXNNVJJDB-UHFFFAOYSA-N
XLogP4.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.30
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 4839539
4-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-ethylbenzamide
CID 112836068
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 2080031
2-[3,5-bis(trifluoromethyl)phenoxy]-N-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 78831595
2-[3,5-bis(trifluoromethyl)phenoxy]-N-quinoxalin-6-ylacetamide
CID 112845789
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 2500780
2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100757803
N-[2-(4-fluoroanilino)-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 42765964
N-(4-fluorophenyl)-2-[(2-naphthalen-1-yloxyacetyl)amino]acetamide
CID 7851076
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 8709029
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 8911027
N-(4-fluorophenyl)-2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetamide
CID 7967934

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-(4-fluorophenyl)acetamide (CID 16526088) is 2-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-(4-fluorophenyl)acetamide is O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-(4-fluorophenyl)acetamide?
The InChIKey is JOCKOPXNNVJJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F7N2O3/c19-12-1-3-13(4-2-12)27-15(28)8-26-16(29)9-30-14-6-10(17(20,21)22)5-11(7-14)18(23,24)25/h1-7H,8-9H2,(H,26,29)(H,27,28).
What are the key properties of 2-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-(4-fluorophenyl)acetamide?
2-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-(4-fluorophenyl)acetamide has a molecular weight of 438.30 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 16526088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).