N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-4-methoxybenzamide

C22H15F6NO3 — CID 2741296

IUPACN-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Oc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)cc1
InChIInChI=1S/C22H15F6NO3/c1-31-17-6-2-13(3-7-17)20(30)29-16-4-8-18(9-5-16)32-19-11-14(21(23,24)25)10-15(12-19)22(26,27)28/h2-12H,1H3,(H,29,30)
InChIKeyCQRGYNJIJRFJKN-UHFFFAOYSA-N
MW455.35 g/mol
LogP6.78
Rot. Bonds5

About N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-4-methoxybenzamide

N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-4-methoxybenzamide (PubChem CID 2741296) has the molecular formula C22H15F6NO3 and a molecular weight of 455.35 g/mol. Its IUPAC name is N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-4-methoxybenzamide
PubChem CID2741296
Molecular FormulaC22H15F6NO3
Molecular Weight455.35 g/mol
Exact Mass455.10
IUPAC NameN-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Oc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)cc1
InChIInChI=1S/C22H15F6NO3/c1-31-17-6-2-13(3-7-17)20(30)29-16-4-8-18(9-5-16)32-19-11-14(21(23,24)25)10-15(12-19)22(26,27)28/h2-12H,1H3,(H,29,30)
InChIKeyCQRGYNJIJRFJKN-UHFFFAOYSA-N
XLogP6.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.35
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-4-methoxybenzamide?
The IUPAC name of N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-4-methoxybenzamide (CID 2741296) is N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(Oc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)cc1.
What is the InChIKey of N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-4-methoxybenzamide?
The InChIKey is CQRGYNJIJRFJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F6NO3/c1-31-17-6-2-13(3-7-17)20(30)29-16-4-8-18(9-5-16)32-19-11-14(21(23,24)25)10-15(12-19)22(26,27)28/h2-12H,1H3,(H,29,30).
What are the key properties of N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-4-methoxybenzamide?
N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-4-methoxybenzamide has a molecular weight of 455.35 g/mol, XLogP of 6.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 2741296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).