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

C16H11F6NO2 — CID 59263648

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1O
InChIInChI=1S/C16H11F6NO2/c1-8-4-9(2-3-13(8)24)14(25)23-12-6-10(15(17,18)19)5-11(7-12)16(20,21)22/h2-7,24H,1H3,(H,23,25)
InChIKeyGEZVBDANJFOAQE-UHFFFAOYSA-N
MW363.26 g/mol
LogP4.99
Rot. Bonds2

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

N-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-3-methylbenzamide (PubChem CID 59263648) has the molecular formula C16H11F6NO2 and a molecular weight of 363.26 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-3-methylbenzamide
PubChem CID59263648
Molecular FormulaC16H11F6NO2
Molecular Weight363.26 g/mol
Exact Mass363.07
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1O
InChIInChI=1S/C16H11F6NO2/c1-8-4-9(2-3-13(8)24)14(25)23-12-6-10(15(17,18)19)5-11(7-12)16(20,21)22/h2-7,24H,1H3,(H,23,25)
InChIKeyGEZVBDANJFOAQE-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

4-hydroxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 103955327
N-[3,5-bis(trifluoromethyl)phenyl]-4-iodobenzamide
CID 94844570
4-hydroxy-3-methyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 107676526
3,4-dimethyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;ethane
CID 162361882
N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-3-methylbenzamide
CID 57459273
5-acetamido-N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxybenzamide
CID 71554885
N-[3,5-bis(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 18876232
methyl 3-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]benzoate
CID 53356057
4-hydroxy-3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103957412
N-[3,5-bis(trifluoromethyl)phenyl]-3-chloro-4-methoxybenzamide
CID 2268375
[5-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-2-methoxyphenyl]-methanidylazanium
CID 21364356
N-(3-acetylphenyl)-4-hydroxy-3-methylbenzamide
CID 103955356

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-3-methylbenzamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-3-methylbenzamide (CID 59263648) is N-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-3-methylbenzamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-3-methylbenzamide is Cc1cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1O.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-3-methylbenzamide?
The InChIKey is GEZVBDANJFOAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F6NO2/c1-8-4-9(2-3-13(8)24)14(25)23-12-6-10(15(17,18)19)5-11(7-12)16(20,21)22/h2-7,24H,1H3,(H,23,25).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-3-methylbenzamide?
N-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-3-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]-4-hydroxy-3-methylbenzamide is sourced from PubChem (CID 59263648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).