N-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-4-methylbenzamide

C22H18F3NO3 — CID 2809826

IUPACN-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-4-methylbenzamide
SMILESCOc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H18F3NO3/c1-14-3-5-15(6-4-14)21(27)26-19-13-16(22(23,24)25)7-12-20(19)29-18-10-8-17(28-2)9-11-18/h3-13H,1-2H3,(H,26,27)
InChIKeyRBBRARUOJXIYLC-UHFFFAOYSA-N
MW401.38 g/mol
LogP6.07
Rot. Bonds5

About N-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-4-methylbenzamide

N-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-4-methylbenzamide (PubChem CID 2809826) has the molecular formula C22H18F3NO3 and a molecular weight of 401.38 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-4-methylbenzamide
PubChem CID2809826
Molecular FormulaC22H18F3NO3
Molecular Weight401.38 g/mol
Exact Mass401.12
IUPAC NameN-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-4-methylbenzamide
SMILESCOc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H18F3NO3/c1-14-3-5-15(6-4-14)21(27)26-19-13-16(22(23,24)25)7-12-20(19)29-18-10-8-17(28-2)9-11-18/h3-13H,1-2H3,(H,26,27)
InChIKeyRBBRARUOJXIYLC-UHFFFAOYSA-N
XLogP6.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.38
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-4-methylbenzamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-4-methylbenzamide (CID 2809826) is N-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-4-methylbenzamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-4-methylbenzamide is COc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-4-methylbenzamide?
The InChIKey is RBBRARUOJXIYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3NO3/c1-14-3-5-15(6-4-14)21(27)26-19-13-16(22(23,24)25)7-12-20(19)29-18-10-8-17(28-2)9-11-18/h3-13H,1-2H3,(H,26,27).
What are the key properties of N-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-4-methylbenzamide?
N-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-4-methylbenzamide has a molecular weight of 401.38 g/mol, XLogP of 6.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-4-methylbenzamide is sourced from PubChem (CID 2809826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).