5-chloro-N-(3-fluoro-4-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(4-fluoro-3-methylphenyl)-2-hydroxybenzamide;3-chloro-4-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;3-chloro-5-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;2,5-dihydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;3-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide

C88H68Cl4F14N6O13 — CID 167547309

IUPAC5-chloro-N-(3-fluoro-4-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(4-fluoro-3-methylphenyl)-2-hydroxybenzamide;3-chloro-4-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;3-chloro-5-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;2,5-dihydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;3-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide
SMILESCc1cc(NC(=O)c2cc(Cl)ccc2O)ccc1F.Cc1cc(NC(=O)c2cc(O)cc(Cl)c2)cc(C(F)(F)F)c1.Cc1cc(NC(=O)c2cc(O)ccc2O)cc(C(F)(F)F)c1.Cc1cc(NC(=O)c2ccc(O)c(Cl)c2)cc(C(F)(F)F)c1.Cc1cc(NC(=O)c2cccc(O)c2)cc(C(F)(F)F)c1.Cc1ccc(NC(=O)c2cc(Cl)ccc2O)cc1F
InChIInChI=1S/2C15H11ClF3NO2.C15H12F3NO3.C15H12F3NO2.2C14H11ClFNO2/c1-8-2-10(15(17,18)19)6-12(3-8)20-14(22)9-4-11(16)7-13(21)5-9;1-8-4-10(15(17,18)19)7-11(5-8)20-14(22)9-2-3-13(21)12(16)6-9;1-8-4-9(15(16,17)18)6-10(5-8)19-14(22)12-7-11(20)2-3-13(12)21;1-9-5-11(15(16,17)18)8-12(6-9)19-14(21)10-3-2-4-13(20)7-10;1-8-6-10(3-4-12(8)16)17-14(19)11-7-9(15)2-5-13(11)18;1-8-2-4-10(7-12(8)16)17-14(19)11-6-9(15)3-5-13(11)18/h2*2-7,21H,1H3,(H,20,22);2-7,20-21H,1H3,(H,19,22);2-8,20H,1H3,(H,19,21);2*2-7,18H,1H3,(H,17,19)
InChIKeyBYLJDLNJLWTQPT-UHFFFAOYSA-N
MW1825.32 g/mol
LogP24.39
Rot. Bonds12

About 5-chloro-N-(3-fluoro-4-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(4-fluoro-3-methylphenyl)-2-hydroxybenzamide;3-chloro-4-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;3-chloro-5-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;2,5-dihydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;3-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide

5-chloro-N-(3-fluoro-4-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(4-fluoro-3-methylphenyl)-2-hydroxybenzamide;3-chloro-4-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;3-chloro-5-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;2,5-dihydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;3-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 167547309) has the molecular formula C88H68Cl4F14N6O13 and a molecular weight of 1825.32 g/mol. Its IUPAC name is 5-chloro-N-(3-fluoro-4-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(4-fluoro-3-methylphenyl)-2-hydroxybenzamide;3-chloro-4-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;3-chloro-5-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;2,5-dihydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;3-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name5-chloro-N-(3-fluoro-4-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(4-fluoro-3-methylphenyl)-2-hydroxybenzamide;3-chloro-4-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;3-chloro-5-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;2,5-dihydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;3-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide
PubChem CID167547309
Molecular FormulaC88H68Cl4F14N6O13
Molecular Weight1825.32 g/mol
Exact Mass1822.34
IUPAC Name5-chloro-N-(3-fluoro-4-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(4-fluoro-3-methylphenyl)-2-hydroxybenzamide;3-chloro-4-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;3-chloro-5-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;2,5-dihydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;3-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide
SMILESCc1cc(NC(=O)c2cc(Cl)ccc2O)ccc1F.Cc1cc(NC(=O)c2cc(O)cc(Cl)c2)cc(C(F)(F)F)c1.Cc1cc(NC(=O)c2cc(O)ccc2O)cc(C(F)(F)F)c1.Cc1cc(NC(=O)c2ccc(O)c(Cl)c2)cc(C(F)(F)F)c1.Cc1cc(NC(=O)c2cccc(O)c2)cc(C(F)(F)F)c1.Cc1ccc(NC(=O)c2cc(Cl)ccc2O)cc1F
InChIInChI=1S/2C15H11ClF3NO2.C15H12F3NO3.C15H12F3NO2.2C14H11ClFNO2/c1-8-2-10(15(17,18)19)6-12(3-8)20-14(22)9-4-11(16)7-13(21)5-9;1-8-4-10(15(17,18)19)7-11(5-8)20-14(22)9-2-3-13(21)12(16)6-9;1-8-4-9(15(16,17)18)6-10(5-8)19-14(22)12-7-11(20)2-3-13(12)21;1-9-5-11(15(16,17)18)8-12(6-9)19-14(21)10-3-2-4-13(20)7-10;1-8-6-10(3-4-12(8)16)17-14(19)11-7-9(15)2-5-13(11)18;1-8-2-4-10(7-12(8)16)17-14(19)11-6-9(15)3-5-13(11)18/h2*2-7,21H,1H3,(H,20,22);2-7,20-21H,1H3,(H,19,22);2-8,20H,1H3,(H,19,21);2*2-7,18H,1H3,(H,17,19)
InChIKeyBYLJDLNJLWTQPT-UHFFFAOYSA-N
XLogP24.39
TPSA316.21 Ų
H-Bond Donors13
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001825.32
LogP ≤ 524.39
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 5-chloro-N-(3-fluoro-4-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(4-fluoro-3-methylphenyl)-2-hydroxybenzamide;3-chloro-4-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;3-chloro-5-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;2,5-dihydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;3-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-fluoro-4-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(4-fluoro-3-methylphenyl)-2-hydroxybenzamide;3-chloro-4-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;3-chloro-5-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;2,5-dihydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;3-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 5-chloro-N-(3-fluoro-4-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(4-fluoro-3-methylphenyl)-2-hydroxybenzamide;3-chloro-4-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;3-chloro-5-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;2,5-dihydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;3-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide (CID 167547309) is 5-chloro-N-(3-fluoro-4-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(4-fluoro-3-methylphenyl)-2-hydroxybenzamide;3-chloro-4-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;3-chloro-5-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;2,5-dihydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;3-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 5-chloro-N-(3-fluoro-4-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(4-fluoro-3-methylphenyl)-2-hydroxybenzamide;3-chloro-4-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;3-chloro-5-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;2,5-dihydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;3-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 5-chloro-N-(3-fluoro-4-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(4-fluoro-3-methylphenyl)-2-hydroxybenzamide;3-chloro-4-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;3-chloro-5-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;2,5-dihydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;3-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide is Cc1cc(NC(=O)c2cc(Cl)ccc2O)ccc1F.Cc1cc(NC(=O)c2cc(O)cc(Cl)c2)cc(C(F)(F)F)c1.Cc1cc(NC(=O)c2cc(O)ccc2O)cc(C(F)(F)F)c1.Cc1cc(NC(=O)c2ccc(O)c(Cl)c2)cc(C(F)(F)F)c1.Cc1cc(NC(=O)c2cccc(O)c2)cc(C(F)(F)F)c1.Cc1ccc(NC(=O)c2cc(Cl)ccc2O)cc1F.
What is the InChIKey of 5-chloro-N-(3-fluoro-4-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(4-fluoro-3-methylphenyl)-2-hydroxybenzamide;3-chloro-4-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;3-chloro-5-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;2,5-dihydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;3-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is BYLJDLNJLWTQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H11ClF3NO2.C15H12F3NO3.C15H12F3NO2.2C14H11ClFNO2/c1-8-2-10(15(17,18)19)6-12(3-8)20-14(22)9-4-11(16)7-13(21)5-9;1-8-4-10(15(17,18)19)7-11(5-8)20-14(22)9-2-3-13(21)12(16)6-9;1-8-4-9(15(16,17)18)6-10(5-8)19-14(22)12-7-11(20)2-3-13(12)21;1-9-5-11(15(16,17)18)8-12(6-9)19-14(21)10-3-2-4-13(20)7-10;1-8-6-10(3-4-12(8)16)17-14(19)11-7-9(15)2-5-13(11)18;1-8-2-4-10(7-12(8)16)17-14(19)11-6-9(15)3-5-13(11)18/h2*2-7,21H,1H3,(H,20,22);2-7,20-21H,1H3,(H,19,22);2-8,20H,1H3,(H,19,21);2*2-7,18H,1H3,(H,17,19).
What are the key properties of 5-chloro-N-(3-fluoro-4-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(4-fluoro-3-methylphenyl)-2-hydroxybenzamide;3-chloro-4-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;3-chloro-5-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;2,5-dihydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;3-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide?
5-chloro-N-(3-fluoro-4-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(4-fluoro-3-methylphenyl)-2-hydroxybenzamide;3-chloro-4-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;3-chloro-5-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;2,5-dihydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;3-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 1825.32 g/mol, XLogP of 24.39, 12 rotatable bonds, 13 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-fluoro-4-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(4-fluoro-3-methylphenyl)-2-hydroxybenzamide;3-chloro-4-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;3-chloro-5-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;2,5-dihydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;3-hydroxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 167547309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).