N-(5-acetamido-2-methoxyphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide

C18H17F3N2O4 — CID 16564447

IUPACN-(5-acetamido-2-methoxyphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N2O4/c1-11(24)22-13-6-7-16(26-2)15(9-13)23-17(25)10-27-14-5-3-4-12(8-14)18(19,20)21/h3-9H,10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyVMTBYCDCRJFRDY-UHFFFAOYSA-N
MW382.34 g/mol
LogP3.69
Rot. Bonds6

About N-(5-acetamido-2-methoxyphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide

N-(5-acetamido-2-methoxyphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide (PubChem CID 16564447) has the molecular formula C18H17F3N2O4 and a molecular weight of 382.34 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
PubChem CID16564447
Molecular FormulaC18H17F3N2O4
Molecular Weight382.34 g/mol
Exact Mass382.11
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N2O4/c1-11(24)22-13-6-7-16(26-2)15(9-13)23-17(25)10-27-14-5-3-4-12(8-14)18(19,20)21/h3-9H,10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyVMTBYCDCRJFRDY-UHFFFAOYSA-N
XLogP3.69
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 8510112
N-(5-acetamido-2-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 55915573
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 34281761
1-(3,4-dimethoxyphenyl)-3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]thiourea
CID 1297891
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758065
2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100757803
N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758535
2-(3-tert-butylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 112977639
N-(2,5-dimethoxyphenyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 55345310
N-(2,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)acetamide
CID 19204029
[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 18281059
N-(3-chloro-4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100757579

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide (CID 16564447) is N-(5-acetamido-2-methoxyphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide is COc1ccc(NC(C)=O)cc1NC(=O)COc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is VMTBYCDCRJFRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O4/c1-11(24)22-13-6-7-16(26-2)15(9-13)23-17(25)10-27-14-5-3-4-12(8-14)18(19,20)21/h3-9H,10H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
N-(5-acetamido-2-methoxyphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 382.34 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 16564447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).