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

C19H17F6NO4 — CID 16526066

IUPAC2-[3,5-bis(trifluoromethyl)phenoxy]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC
InChIInChI=1S/C19H17F6NO4/c1-28-15-4-3-11(5-16(15)29-2)9-26-17(27)10-30-14-7-12(18(20,21)22)6-13(8-14)19(23,24)25/h3-8H,9-10H2,1-2H3,(H,26,27)
InChIKeyMQFSZJLFQPTUEP-UHFFFAOYSA-N
MW437.34 g/mol
LogP4.44
Rot. Bonds7

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

2-[3,5-bis(trifluoromethyl)phenoxy]-N-[(3,4-dimethoxyphenyl)methyl]acetamide (PubChem CID 16526066) has the molecular formula C19H17F6NO4 and a molecular weight of 437.34 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenoxy]-N-[(3,4-dimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenoxy]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
PubChem CID16526066
Molecular FormulaC19H17F6NO4
Molecular Weight437.34 g/mol
Exact Mass437.11
IUPAC Name2-[3,5-bis(trifluoromethyl)phenoxy]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC
InChIInChI=1S/C19H17F6NO4/c1-28-15-4-3-11(5-16(15)29-2)9-26-17(27)10-30-14-7-12(18(20,21)22)6-13(8-14)19(23,24)25/h3-8H,9-10H2,1-2H3,(H,26,27)
InChIKeyMQFSZJLFQPTUEP-UHFFFAOYSA-N
XLogP4.44
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.34
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3,5-bis(trifluoromethyl)phenoxy]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 34964094
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 51117641
2-(3,4-dimethoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052353
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 2504270
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 2568679
N-[(3,4-dimethoxyphenyl)methyl]-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 2544260
2-(3-chlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 2707667
2-(2-methoxy-4-prop-2-enylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 18084109
2-(2-bromo-4-tert-butylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 92671676
2-(4-tert-butylphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide
CID 54777035
2-[4-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55772582

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenoxy]-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenoxy]-N-[(3,4-dimethoxyphenyl)methyl]acetamide (CID 16526066) is 2-[3,5-bis(trifluoromethyl)phenoxy]-N-[(3,4-dimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenoxy]-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenoxy]-N-[(3,4-dimethoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenoxy]-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The InChIKey is MQFSZJLFQPTUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F6NO4/c1-28-15-4-3-11(5-16(15)29-2)9-26-17(27)10-30-14-7-12(18(20,21)22)6-13(8-14)19(23,24)25/h3-8H,9-10H2,1-2H3,(H,26,27).
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenoxy]-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
2-[3,5-bis(trifluoromethyl)phenoxy]-N-[(3,4-dimethoxyphenyl)methyl]acetamide has a molecular weight of 437.34 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenoxy]-N-[(3,4-dimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 16526066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).