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

C21H13F6NO2 — CID 57459276

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-4-phenylbenzamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(-c2ccccc2)cc1O
InChIInChI=1S/C21H13F6NO2/c22-20(23,24)14-9-15(21(25,26)27)11-16(10-14)28-19(30)17-7-6-13(8-18(17)29)12-4-2-1-3-5-12/h1-11,29H,(H,28,30)
InChIKeyOYXBGFFEVKUQMS-UHFFFAOYSA-N
MW425.33 g/mol
LogP6.35
Rot. Bonds3

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

N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-4-phenylbenzamide (PubChem CID 57459276) has the molecular formula C21H13F6NO2 and a molecular weight of 425.33 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-4-phenylbenzamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-4-phenylbenzamide
PubChem CID57459276
Molecular FormulaC21H13F6NO2
Molecular Weight425.33 g/mol
Exact Mass425.09
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-4-phenylbenzamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(-c2ccccc2)cc1O
InChIInChI=1S/C21H13F6NO2/c22-20(23,24)14-9-15(21(25,26)27)11-16(10-14)28-19(30)17-7-6-13(8-18(17)29)12-4-2-1-3-5-12/h1-11,29H,(H,28,30)
InChIKeyOYXBGFFEVKUQMS-UHFFFAOYSA-N
XLogP6.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.33
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-4-phenylbenzamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-4-phenylbenzamide (CID 57459276) is N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-4-phenylbenzamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-4-phenylbenzamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-4-phenylbenzamide is O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(-c2ccccc2)cc1O.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-4-phenylbenzamide?
The InChIKey is OYXBGFFEVKUQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F6NO2/c22-20(23,24)14-9-15(21(25,26)27)11-16(10-14)28-19(30)17-7-6-13(8-18(17)29)12-4-2-1-3-5-12/h1-11,29H,(H,28,30).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-4-phenylbenzamide?
N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-4-phenylbenzamide has a molecular weight of 425.33 g/mol, XLogP of 6.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-4-phenylbenzamide is sourced from PubChem (CID 57459276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).