2-(3-chloro-5-methylphenyl)-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzamide;2-(2,5-dichlorophenyl)-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzamide

C41H27Cl3F6N2O4 — CID 160903909

IUPAC2-(3-chloro-5-methylphenyl)-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzamide;2-(2,5-dichlorophenyl)-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzamide
SMILESCc1cc(Cl)cc(-c2c(C(N)=O)cc(C(F)(F)F)cc2-c2ccc(O)cc2)c1.NC(=O)c1cc(C(F)(F)F)cc(-c2ccc(O)cc2)c1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C21H15ClF3NO2.C20H12Cl2F3NO2/c1-11-6-13(8-15(22)7-11)19-17(12-2-4-16(27)5-3-12)9-14(21(23,24)25)10-18(19)20(26)28;21-12-3-6-17(22)15(9-12)18-14(10-1-4-13(27)5-2-10)7-11(20(23,24)25)8-16(18)19(26)28/h2-10,27H,1H3,(H2,26,28);1-9,27H,(H2,26,28)
InChIKeySPWIGLUHWIBGKS-UHFFFAOYSA-N
MW832.02 g/mol
LogP11.96
Rot. Bonds6

About 2-(3-chloro-5-methylphenyl)-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzamide;2-(2,5-dichlorophenyl)-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzamide

2-(3-chloro-5-methylphenyl)-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzamide;2-(2,5-dichlorophenyl)-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzamide (PubChem CID 160903909) has the molecular formula C41H27Cl3F6N2O4 and a molecular weight of 832.02 g/mol. Its IUPAC name is 2-(3-chloro-5-methylphenyl)-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzamide;2-(2,5-dichlorophenyl)-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(3-chloro-5-methylphenyl)-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzamide;2-(2,5-dichlorophenyl)-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzamide
PubChem CID160903909
Molecular FormulaC41H27Cl3F6N2O4
Molecular Weight832.02 g/mol
Exact Mass830.09
IUPAC Name2-(3-chloro-5-methylphenyl)-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzamide;2-(2,5-dichlorophenyl)-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzamide
SMILESCc1cc(Cl)cc(-c2c(C(N)=O)cc(C(F)(F)F)cc2-c2ccc(O)cc2)c1.NC(=O)c1cc(C(F)(F)F)cc(-c2ccc(O)cc2)c1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C21H15ClF3NO2.C20H12Cl2F3NO2/c1-11-6-13(8-15(22)7-11)19-17(12-2-4-16(27)5-3-12)9-14(21(23,24)25)10-18(19)20(26)28;21-12-3-6-17(22)15(9-12)18-14(10-1-4-13(27)5-2-10)7-11(20(23,24)25)8-16(18)19(26)28/h2-10,27H,1H3,(H2,26,28);1-9,27H,(H2,26,28)
InChIKeySPWIGLUHWIBGKS-UHFFFAOYSA-N
XLogP11.96
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.02
LogP ≤ 511.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Chloro-5-methylphenyl)-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzamide
CID 71492935
2-(3-Chloro-2-methylphenyl)-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzamide
CID 117665655
2-(2,5-Dichlorophenyl)-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzamide
CID 117665663
2-(3-Chloro-2-methylphenyl)-3-(2-fluoro-4-hydroxyphenyl)-5-(trifluoromethyl)benzamide
CID 117665680
2-(2-Chloro-5-methylphenyl)-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzamide
CID 117665748
2-(3-Chloro-5-fluorophenyl)-3-(2-fluoro-4-hydroxyphenyl)-5-(trifluoromethyl)benzamide
CID 117665760
3-(3-Chloro-5-fluoro-4-hydroxyphenyl)-2-phenyl-5-(trifluoromethyl)benzamide
CID 117665920
3-(4-Carbamoyl-3-chlorophenyl)-4-[2-[4-hydroxy-2-(trifluoromethyl)phenyl]ethynyl]benzoic acid
CID 121271321
Tris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;tetrakis(4-fluoro-2-methyl-1-propan-2-ylbenzene);5-fluoro-2-propan-2-ylbenzamide;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);1-propan-2-ylnaphthalene;4-propan-2-ylphenol;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene;hydrochloride
CID 158244143
2-(3-chloro-5-fluorophenyl)-3-(2-fluoro-4-hydroxyphenyl)-N'-hydroxy-5-(trifluoromethyl)benzenecarboximidamide;2-(3-chloro-5-fluorophenyl)-3-(2-fluoro-4-hydroxyphenyl)-5-(trifluoromethyl)benzamide
CID 158379416
2,6-Dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene
CID 158581394
4-[3-(3,5-Dichlorophenyl)-4,4,4-trifluorobut-2-enoyl]-2-methylbenzamide;4-[3-(3,5-dichlorophenyl)-4,4,4-trifluoro-3-hydroxybutanoyl]-2-methylbenzamide
CID 158768219

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-methylphenyl)-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzamide;2-(2,5-dichlorophenyl)-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-(3-chloro-5-methylphenyl)-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzamide;2-(2,5-dichlorophenyl)-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzamide (CID 160903909) is 2-(3-chloro-5-methylphenyl)-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzamide;2-(2,5-dichlorophenyl)-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(3-chloro-5-methylphenyl)-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzamide;2-(2,5-dichlorophenyl)-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(3-chloro-5-methylphenyl)-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzamide;2-(2,5-dichlorophenyl)-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzamide is Cc1cc(Cl)cc(-c2c(C(N)=O)cc(C(F)(F)F)cc2-c2ccc(O)cc2)c1.NC(=O)c1cc(C(F)(F)F)cc(-c2ccc(O)cc2)c1-c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(3-chloro-5-methylphenyl)-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzamide;2-(2,5-dichlorophenyl)-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzamide?
The InChIKey is SPWIGLUHWIBGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3NO2.C20H12Cl2F3NO2/c1-11-6-13(8-15(22)7-11)19-17(12-2-4-16(27)5-3-12)9-14(21(23,24)25)10-18(19)20(26)28;21-12-3-6-17(22)15(9-12)18-14(10-1-4-13(27)5-2-10)7-11(20(23,24)25)8-16(18)19(26)28/h2-10,27H,1H3,(H2,26,28);1-9,27H,(H2,26,28).
What are the key properties of 2-(3-chloro-5-methylphenyl)-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzamide;2-(2,5-dichlorophenyl)-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzamide?
2-(3-chloro-5-methylphenyl)-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzamide;2-(2,5-dichlorophenyl)-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzamide has a molecular weight of 832.02 g/mol, XLogP of 11.96, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-methylphenyl)-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzamide;2-(2,5-dichlorophenyl)-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 160903909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).