2-hydroxy-5-methyl-N-[2-(4-methylnaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]benzamide

C26H20F3NO3 — CID 143256872

IUPAC2-hydroxy-5-methyl-N-[2-(4-methylnaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(O)c(C(=O)Nc2cc(C(F)(F)F)ccc2Oc2ccc(C)c3ccccc23)c1
InChIInChI=1S/C26H20F3NO3/c1-15-7-10-22(31)20(13-15)25(32)30-21-14-17(26(27,28)29)9-12-24(21)33-23-11-8-16(2)18-5-3-4-6-19(18)23/h3-14,31H,1-2H3,(H,30,32)
InChIKeySLUKABQRVBALGT-UHFFFAOYSA-N
MW451.44 g/mol
LogP7.23
Rot. Bonds4

About 2-hydroxy-5-methyl-N-[2-(4-methylnaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]benzamide

2-hydroxy-5-methyl-N-[2-(4-methylnaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 143256872) has the molecular formula C26H20F3NO3 and a molecular weight of 451.44 g/mol. Its IUPAC name is 2-hydroxy-5-methyl-N-[2-(4-methylnaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-methyl-N-[2-(4-methylnaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]benzamide
PubChem CID143256872
Molecular FormulaC26H20F3NO3
Molecular Weight451.44 g/mol
Exact Mass451.14
IUPAC Name2-hydroxy-5-methyl-N-[2-(4-methylnaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(O)c(C(=O)Nc2cc(C(F)(F)F)ccc2Oc2ccc(C)c3ccccc23)c1
InChIInChI=1S/C26H20F3NO3/c1-15-7-10-22(31)20(13-15)25(32)30-21-14-17(26(27,28)29)9-12-24(21)33-23-11-8-16(2)18-5-3-4-6-19(18)23/h3-14,31H,1-2H3,(H,30,32)
InChIKeySLUKABQRVBALGT-UHFFFAOYSA-N
XLogP7.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.44
LogP ≤ 57.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
CID 20604816
N-[2,5-bis(trifluoromethyl)phenyl]-2-hydroxybenzamide
CID 23070350
2-hydroxy-N-[2-(hydroxymethyl)phenyl]-5-methylbenzamide
CID 61498041
2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 7777818
N-(5-chloro-2-phenoxyphenyl)-2,5-dimethylbenzamide
CID 100657509
N-(2-methoxy-5-methylphenyl)-2-(trifluoromethyl)benzamide
CID 7778212
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methylquinoline-4-carboxamide
CID 26177646
N-isoquinolin-4-yl-2-methoxy-5-(trifluoromethyl)benzamide
CID 166085769
2-hydroxy-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-5-methylbenzamide
CID 43185521
N-[2-amino-4-(trifluoromethyl)phenyl]-2-methoxybenzamide
CID 16775181
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxybenzamide
CID 871827
N-(2,5-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 4801581

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methyl-N-[2-(4-methylnaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-hydroxy-5-methyl-N-[2-(4-methylnaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]benzamide (CID 143256872) is 2-hydroxy-5-methyl-N-[2-(4-methylnaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-hydroxy-5-methyl-N-[2-(4-methylnaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-hydroxy-5-methyl-N-[2-(4-methylnaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]benzamide is Cc1ccc(O)c(C(=O)Nc2cc(C(F)(F)F)ccc2Oc2ccc(C)c3ccccc23)c1.
What is the InChIKey of 2-hydroxy-5-methyl-N-[2-(4-methylnaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is SLUKABQRVBALGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3NO3/c1-15-7-10-22(31)20(13-15)25(32)30-21-14-17(26(27,28)29)9-12-24(21)33-23-11-8-16(2)18-5-3-4-6-19(18)23/h3-14,31H,1-2H3,(H,30,32).
What are the key properties of 2-hydroxy-5-methyl-N-[2-(4-methylnaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]benzamide?
2-hydroxy-5-methyl-N-[2-(4-methylnaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 451.44 g/mol, XLogP of 7.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methyl-N-[2-(4-methylnaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 143256872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).