3-[3,5-bis(trifluoromethyl)phenyl]-2-methoxy-4-phenylbenzamide

C22H15F6NO2 — CID 23069952

IUPAC3-[3,5-bis(trifluoromethyl)phenyl]-2-methoxy-4-phenylbenzamide
SMILESCOc1c(C(N)=O)ccc(-c2ccccc2)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C22H15F6NO2/c1-31-19-17(20(29)30)8-7-16(12-5-3-2-4-6-12)18(19)13-9-14(21(23,24)25)11-15(10-13)22(26,27)28/h2-11H,1H3,(H2,29,30)
InChIKeyYPLFFBJFFNZJTH-UHFFFAOYSA-N
MW439.36 g/mol
LogP6.17
Rot. Bonds4

About 3-[3,5-bis(trifluoromethyl)phenyl]-2-methoxy-4-phenylbenzamide

3-[3,5-bis(trifluoromethyl)phenyl]-2-methoxy-4-phenylbenzamide (PubChem CID 23069952) has the molecular formula C22H15F6NO2 and a molecular weight of 439.36 g/mol. Its IUPAC name is 3-[3,5-bis(trifluoromethyl)phenyl]-2-methoxy-4-phenylbenzamide.

Molecular Properties

Compound Name3-[3,5-bis(trifluoromethyl)phenyl]-2-methoxy-4-phenylbenzamide
PubChem CID23069952
Molecular FormulaC22H15F6NO2
Molecular Weight439.36 g/mol
Exact Mass439.10
IUPAC Name3-[3,5-bis(trifluoromethyl)phenyl]-2-methoxy-4-phenylbenzamide
SMILESCOc1c(C(N)=O)ccc(-c2ccccc2)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C22H15F6NO2/c1-31-19-17(20(29)30)8-7-16(12-5-3-2-4-6-12)18(19)13-9-14(21(23,24)25)11-15(10-13)22(26,27)28/h2-11H,1H3,(H2,29,30)
InChIKeyYPLFFBJFFNZJTH-UHFFFAOYSA-N
XLogP6.17
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.36
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis(trifluoromethyl)phenyl]-2-methoxy-4-phenylbenzamide?
The IUPAC name of 3-[3,5-bis(trifluoromethyl)phenyl]-2-methoxy-4-phenylbenzamide (CID 23069952) is 3-[3,5-bis(trifluoromethyl)phenyl]-2-methoxy-4-phenylbenzamide.
What is the SMILES notation for 3-[3,5-bis(trifluoromethyl)phenyl]-2-methoxy-4-phenylbenzamide?
The canonical SMILES for 3-[3,5-bis(trifluoromethyl)phenyl]-2-methoxy-4-phenylbenzamide is COc1c(C(N)=O)ccc(-c2ccccc2)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[3,5-bis(trifluoromethyl)phenyl]-2-methoxy-4-phenylbenzamide?
The InChIKey is YPLFFBJFFNZJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F6NO2/c1-31-19-17(20(29)30)8-7-16(12-5-3-2-4-6-12)18(19)13-9-14(21(23,24)25)11-15(10-13)22(26,27)28/h2-11H,1H3,(H2,29,30).
What are the key properties of 3-[3,5-bis(trifluoromethyl)phenyl]-2-methoxy-4-phenylbenzamide?
3-[3,5-bis(trifluoromethyl)phenyl]-2-methoxy-4-phenylbenzamide has a molecular weight of 439.36 g/mol, XLogP of 6.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis(trifluoromethyl)phenyl]-2-methoxy-4-phenylbenzamide is sourced from PubChem (CID 23069952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).