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

C16H11F6NO2 — CID 11210681

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H11F6NO2/c1-8-2-3-13(24)12(4-8)14(25)23-11-6-9(15(17,18)19)5-10(7-11)16(20,21)22/h2-7,24H,1H3,(H,23,25)
InChIKeyJNBXTAVYSJHVOK-UHFFFAOYSA-N
MW363.26 g/mol
LogP4.99
Rot. Bonds2

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

N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-methylbenzamide (PubChem CID 11210681) has the molecular formula C16H11F6NO2 and a molecular weight of 363.26 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-methylbenzamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-methylbenzamide
PubChem CID11210681
Molecular FormulaC16H11F6NO2
Molecular Weight363.26 g/mol
Exact Mass363.07
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H11F6NO2/c1-8-2-3-13(24)12(4-8)14(25)23-11-6-9(15(17,18)19)5-10(7-11)16(20,21)22/h2-7,24H,1H3,(H,23,25)
InChIKeyJNBXTAVYSJHVOK-UHFFFAOYSA-N
XLogP4.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Salicylanilide
CID 6872
Osalmid
CID 4602
Imd-0354
CID 5081913
C.I. 37505
CID 66719
2-Hydroxy-N-(3-(trifluoromethyl)phenyl)benzamide
CID 68519
2-Acetyl-4-butyramidophenol
CID 736331
2-hydroxy-N-(4-methylphenyl)benzamide
CID 478805
Triiodosalicylanilide
CID 203445
N-(4-carbamimidoylphenyl)-2-hydroxy-3-iodo-5-methylbenzamide
CID 9886960
N-(4-hydroxyphenyl)-3-methylbenzamide
CID 836078
N-2-Naphthylsalicylamide
CID 219325
AO-080/41182580
CID 578050

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-methylbenzamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-methylbenzamide (CID 11210681) is N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-methylbenzamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-methylbenzamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-methylbenzamide is Cc1ccc(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-methylbenzamide?
The InChIKey is JNBXTAVYSJHVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F6NO2/c1-8-2-3-13(24)12(4-8)14(25)23-11-6-9(15(17,18)19)5-10(7-11)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-methylbenzamide?
N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-methylbenzamide has a molecular weight of 363.26 g/mol, XLogP of 4.99, 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]-2-hydroxy-5-methylbenzamide is sourced from PubChem (CID 11210681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).