N-[4-[4-acetamido-2-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)phenyl]acetamide

C18H14F6N2O3 — CID 171392853

IUPACN-[4-[4-acetamido-2-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2ccc(NC(C)=O)cc2C(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C18H14F6N2O3/c1-9(27)25-11-3-5-15(13(7-11)17(19,20)21)29-16-6-4-12(26-10(2)28)8-14(16)18(22,23)24/h3-8H,1-2H3,(H,25,27)(H,26,28)
InChIKeyKYVJENRLJBWIKW-UHFFFAOYSA-N
MW420.31 g/mol
LogP5.43
Rot. Bonds4

About N-[4-[4-acetamido-2-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)phenyl]acetamide

N-[4-[4-acetamido-2-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 171392853) has the molecular formula C18H14F6N2O3 and a molecular weight of 420.31 g/mol. Its IUPAC name is N-[4-[4-acetamido-2-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-acetamido-2-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)phenyl]acetamide
PubChem CID171392853
Molecular FormulaC18H14F6N2O3
Molecular Weight420.31 g/mol
Exact Mass420.09
IUPAC NameN-[4-[4-acetamido-2-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2ccc(NC(C)=O)cc2C(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C18H14F6N2O3/c1-9(27)25-11-3-5-15(13(7-11)17(19,20)21)29-16-6-4-12(26-10(2)28)8-14(16)18(22,23)24/h3-8H,1-2H3,(H,25,27)(H,26,28)
InChIKeyKYVJENRLJBWIKW-UHFFFAOYSA-N
XLogP5.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.31
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-acetamido-2-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[4-[4-acetamido-2-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)phenyl]acetamide (CID 171392853) is N-[4-[4-acetamido-2-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[4-[4-acetamido-2-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[4-[4-acetamido-2-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1ccc(Oc2ccc(NC(C)=O)cc2C(F)(F)F)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-[4-acetamido-2-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is KYVJENRLJBWIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F6N2O3/c1-9(27)25-11-3-5-15(13(7-11)17(19,20)21)29-16-6-4-12(26-10(2)28)8-14(16)18(22,23)24/h3-8H,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-[4-[4-acetamido-2-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)phenyl]acetamide?
N-[4-[4-acetamido-2-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 420.31 g/mol, XLogP of 5.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-acetamido-2-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 171392853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).