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

C16H11F6NO3 — CID 11314966

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H11F6NO3/c1-26-11-2-3-13(24)12(7-11)14(25)23-10-5-8(15(17,18)19)4-9(6-10)16(20,21)22/h2-7,24H,1H3,(H,23,25)
InChIKeyFYBGLYVXXGYEGQ-UHFFFAOYSA-N
MW379.26 g/mol
LogP4.69
Rot. Bonds3

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

N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-methoxybenzamide (PubChem CID 11314966) has the molecular formula C16H11F6NO3 and a molecular weight of 379.26 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-methoxybenzamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-methoxybenzamide
PubChem CID11314966
Molecular FormulaC16H11F6NO3
Molecular Weight379.26 g/mol
Exact Mass379.06
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H11F6NO3/c1-26-11-2-3-13(24)12(7-11)14(25)23-10-5-8(15(17,18)19)4-9(6-10)16(20,21)22/h2-7,24H,1H3,(H,23,25)
InChIKeyFYBGLYVXXGYEGQ-UHFFFAOYSA-N
XLogP4.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.26
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-methoxybenzamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-methoxybenzamide (CID 11314966) is N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-methoxybenzamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-methoxybenzamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-methoxybenzamide is COc1ccc(O)c(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-methoxybenzamide?
The InChIKey is FYBGLYVXXGYEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F6NO3/c1-26-11-2-3-13(24)12(7-11)14(25)23-10-5-8(15(17,18)19)4-9(6-10)16(20,21)22/h2-7,24H,1H3,(H,23,25).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-methoxybenzamide?
N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-methoxybenzamide has a molecular weight of 379.26 g/mol, XLogP of 4.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-methoxybenzamide is sourced from PubChem (CID 11314966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).