N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide

C15H8ClF6NO2 — CID 5081913

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C15H8ClF6NO2/c16-9-1-2-12(24)11(6-9)13(25)23-10-4-7(14(17,18)19)3-8(5-10)15(20,21)22/h1-6,24H,(H,23,25)
InChIKeyCHILCFMQWMQVAL-UHFFFAOYSA-N
MW383.68 g/mol
LogP5.34
Rot. Bonds2

About N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide

N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide (PubChem CID 5081913) has the molecular formula C15H8ClF6NO2 and a molecular weight of 383.68 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
PubChem CID5081913
Molecular FormulaC15H8ClF6NO2
Molecular Weight383.68 g/mol
Exact Mass383.01
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C15H8ClF6NO2/c16-9-1-2-12(24)11(6-9)13(25)23-10-4-7(14(17,18)19)3-8(5-10)15(20,21)22/h1-6,24H,(H,23,25)
InChIKeyCHILCFMQWMQVAL-UHFFFAOYSA-N
XLogP5.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.68
LogP ≤ 55.34
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]-5-chloro-2-hydroxybenzamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide (CID 5081913) is N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide is O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide?
The InChIKey is CHILCFMQWMQVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF6NO2/c16-9-1-2-12(24)11(6-9)13(25)23-10-4-7(14(17,18)19)3-8(5-10)15(20,21)22/h1-6,24H,(H,23,25).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide?
N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide has a molecular weight of 383.68 g/mol, XLogP of 5.34, 2 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]-5-chloro-2-hydroxybenzamide is sourced from PubChem (CID 5081913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).