2-[3,5-bis(trifluoromethyl)phenoxy]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

C20H19F6NO5 — CID 34964094

IUPAC2-[3,5-bis(trifluoromethyl)phenoxy]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(OC)c1OC
InChIInChI=1S/C20H19F6NO5/c1-29-15-4-11(5-16(30-2)18(15)31-3)9-27-17(28)10-32-14-7-12(19(21,22)23)6-13(8-14)20(24,25)26/h4-8H,9-10H2,1-3H3,(H,27,28)
InChIKeyIXZPJTSDOWNEGN-UHFFFAOYSA-N
MW467.36 g/mol
LogP4.45
Rot. Bonds8

About 2-[3,5-bis(trifluoromethyl)phenoxy]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

2-[3,5-bis(trifluoromethyl)phenoxy]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (PubChem CID 34964094) has the molecular formula C20H19F6NO5 and a molecular weight of 467.36 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenoxy]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenoxy]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
PubChem CID34964094
Molecular FormulaC20H19F6NO5
Molecular Weight467.36 g/mol
Exact Mass467.12
IUPAC Name2-[3,5-bis(trifluoromethyl)phenoxy]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(OC)c1OC
InChIInChI=1S/C20H19F6NO5/c1-29-15-4-11(5-16(30-2)18(15)31-3)9-27-17(28)10-32-14-7-12(19(21,22)23)6-13(8-14)20(24,25)26/h4-8H,9-10H2,1-3H3,(H,27,28)
InChIKeyIXZPJTSDOWNEGN-UHFFFAOYSA-N
XLogP4.45
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.36
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3,5-bis(trifluoromethyl)phenoxy]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 16526066
2-(4-fluorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9012523
1-[3,5-bis(trifluoromethyl)phenyl]-3-[(3,4,5-trimethoxyphenyl)methyl]thiourea
CID 42625366
2-(4-cyclohexylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 1277920
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 51117641
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide
CID 2110784
2-(3-methoxy-4-nitrophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 48850427
N-[(3,4,5-trimethoxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 36568354
(E)-N-hydroxy-3-[4-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]phenyl]prop-2-enamide
CID 24988428
2-[4-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55772582
2-(4-bromo-2-chlorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 27893473
2-(1-bromonaphthalen-2-yl)oxy-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 37004225

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenoxy]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenoxy]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (CID 34964094) is 2-[3,5-bis(trifluoromethyl)phenoxy]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenoxy]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenoxy]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is COc1cc(CNC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(OC)c1OC.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenoxy]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The InChIKey is IXZPJTSDOWNEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F6NO5/c1-29-15-4-11(5-16(30-2)18(15)31-3)9-27-17(28)10-32-14-7-12(19(21,22)23)6-13(8-14)20(24,25)26/h4-8H,9-10H2,1-3H3,(H,27,28).
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenoxy]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
2-[3,5-bis(trifluoromethyl)phenoxy]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide has a molecular weight of 467.36 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenoxy]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 34964094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).