2-(5-chloro-2-methoxyphenyl)-3-(2-fluoro-4-hydroxyphenyl)-5-(trifluoromethyl)benzamide;2-(2-ethenylphenyl)-3-(2-fluoro-4-hydroxyphenyl)-5-(trifluoromethyl)benzamide

C43H29ClF8N2O5 — CID 159008059

IUPAC2-(5-chloro-2-methoxyphenyl)-3-(2-fluoro-4-hydroxyphenyl)-5-(trifluoromethyl)benzamide;2-(2-ethenylphenyl)-3-(2-fluoro-4-hydroxyphenyl)-5-(trifluoromethyl)benzamide
SMILESC=Cc1ccccc1-c1c(C(N)=O)cc(C(F)(F)F)cc1-c1ccc(O)cc1F.COc1ccc(Cl)cc1-c1c(C(N)=O)cc(C(F)(F)F)cc1-c1ccc(O)cc1F
InChIInChI=1S/C22H15F4NO2.C21H14ClF4NO3/c1-2-12-5-3-4-6-15(12)20-17(16-8-7-14(28)11-19(16)23)9-13(22(24,25)26)10-18(20)21(27)29;1-30-18-5-2-11(22)8-15(18)19-14(13-4-3-12(28)9-17(13)23)6-10(21(24,25)26)7-16(19)20(27)29/h2-11,28H,1H2,(H2,27,29);2-9,28H,1H3,(H2,27,29)
InChIKeyJSDZBTKNACLOQP-UHFFFAOYSA-N
MW841.15 g/mol
LogP11.27
Rot. Bonds8

About 2-(5-chloro-2-methoxyphenyl)-3-(2-fluoro-4-hydroxyphenyl)-5-(trifluoromethyl)benzamide;2-(2-ethenylphenyl)-3-(2-fluoro-4-hydroxyphenyl)-5-(trifluoromethyl)benzamide

2-(5-chloro-2-methoxyphenyl)-3-(2-fluoro-4-hydroxyphenyl)-5-(trifluoromethyl)benzamide;2-(2-ethenylphenyl)-3-(2-fluoro-4-hydroxyphenyl)-5-(trifluoromethyl)benzamide (PubChem CID 159008059) has the molecular formula C43H29ClF8N2O5 and a molecular weight of 841.15 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-3-(2-fluoro-4-hydroxyphenyl)-5-(trifluoromethyl)benzamide;2-(2-ethenylphenyl)-3-(2-fluoro-4-hydroxyphenyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-3-(2-fluoro-4-hydroxyphenyl)-5-(trifluoromethyl)benzamide;2-(2-ethenylphenyl)-3-(2-fluoro-4-hydroxyphenyl)-5-(trifluoromethyl)benzamide
PubChem CID159008059
Molecular FormulaC43H29ClF8N2O5
Molecular Weight841.15 g/mol
Exact Mass840.16
IUPAC Name2-(5-chloro-2-methoxyphenyl)-3-(2-fluoro-4-hydroxyphenyl)-5-(trifluoromethyl)benzamide;2-(2-ethenylphenyl)-3-(2-fluoro-4-hydroxyphenyl)-5-(trifluoromethyl)benzamide
SMILESC=Cc1ccccc1-c1c(C(N)=O)cc(C(F)(F)F)cc1-c1ccc(O)cc1F.COc1ccc(Cl)cc1-c1c(C(N)=O)cc(C(F)(F)F)cc1-c1ccc(O)cc1F
InChIInChI=1S/C22H15F4NO2.C21H14ClF4NO3/c1-2-12-5-3-4-6-15(12)20-17(16-8-7-14(28)11-19(16)23)9-13(22(24,25)26)10-18(20)21(27)29;1-30-18-5-2-11(22)8-15(18)19-14(13-4-3-12(28)9-17(13)23)6-10(21(24,25)26)7-16(19)20(27)29/h2-11,28H,1H2,(H2,27,29);2-9,28H,1H3,(H2,27,29)
InChIKeyJSDZBTKNACLOQP-UHFFFAOYSA-N
XLogP11.27
TPSA135.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.15
LogP ≤ 511.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2''-{[[3,5-Bis(trifluoromethyl)benzyl](methoxycarbonyl)amino]methyl}-2-chloro-6'-fluoro-4'-methoxy-4''-(trifluoromethyl)-1,1':3',1''-terphenyl-4-carboxylic acid
CID 16730182
2-(5-Chloro-2-methoxyphenyl)-3-(2-fluoro-4-hydroxyphenyl)-5-(trifluoromethyl)benzamide
CID 71492576
5-Chloro-2-(5-fluoro-2-methoxyphenyl)-3-(4-hydroxyphenyl)benzamide
CID 117665619
5-Chloro-2-(5-fluoro-2-methoxyphenyl)-3-(4-hydroxy-3-methylphenyl)benzamide
CID 117665622
4-Hydroxy-2''-methoxy-5''-methyl-5'-(trifluoromethyl)-[1,1':2',1''-terphenyl]-3'-carboxamide
CID 117665829
4-Fluoro-2-(5-fluoro-2-methoxyphenyl)-3-(4-hydroxyphenyl)-5-propylbenzamide
CID 117665974
3-(5-Chloro-2-hydroxy-4-methylphenyl)-4-(trifluoromethoxy)benzamide
CID 126677284
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
Tris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;1-ethoxy-4-propan-2-ylbenzene;tris(4-fluoro-2-methyl-1-propan-2-ylbenzene);5-fluoro-2-propan-2-ylbenzamide;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;bis(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);1-propan-2-ylnaphthalene;4-propan-2-ylphenol;1-propan-2-yl-4-propan-2-yloxybenzene;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;bis(1-propan-2-yl-4-(trifluoromethyl)benzene)
CID 159103262
3-(4-Hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzamide;3-(4-hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzonitrile;3-(4-hydroxyphenyl)-2-(2-methoxy-5-methylphenyl)-5-(trifluoromethyl)benzamide
CID 159287112
1-Chloro-2,4-dimethylbenzene;4-chloro-1,2-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;1-chloro-3-methoxy-2-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;4-chloro-3-methylbenzamide;4-chloro-3-methylbenzoic acid;3-chloro-2-methylphenol;4-chloro-3-methylphenol;1-(4-chloro-3-methylphenyl)ethanone;(4-chloro-3-methylphenyl)methanol;1-chloro-2-methyl-4-(trifluoromethoxy)benzene;1-chloro-2-methyl-4-(trifluoromethyl)benzene;bis((3,4-dimethylphenyl)methanol);4-fluoro-1,2-dimethylbenzene;4-fluoro-3-methoxy-5-methylbenzoic acid;1,2,3,5-tetramethylbenzene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene
CID 159424168
Tris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;1-ethoxy-4-propan-2-ylbenzene;tris(4-fluoro-2-methyl-1-propan-2-ylbenzene);5-fluoro-2-propan-2-ylbenzamide;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;bis(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);1-propan-2-ylnaphthalene;4-propan-2-ylphenol;1-propan-2-yl-4-propan-2-yloxybenzene;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 159595389

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-3-(2-fluoro-4-hydroxyphenyl)-5-(trifluoromethyl)benzamide;2-(2-ethenylphenyl)-3-(2-fluoro-4-hydroxyphenyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-3-(2-fluoro-4-hydroxyphenyl)-5-(trifluoromethyl)benzamide;2-(2-ethenylphenyl)-3-(2-fluoro-4-hydroxyphenyl)-5-(trifluoromethyl)benzamide (CID 159008059) is 2-(5-chloro-2-methoxyphenyl)-3-(2-fluoro-4-hydroxyphenyl)-5-(trifluoromethyl)benzamide;2-(2-ethenylphenyl)-3-(2-fluoro-4-hydroxyphenyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-3-(2-fluoro-4-hydroxyphenyl)-5-(trifluoromethyl)benzamide;2-(2-ethenylphenyl)-3-(2-fluoro-4-hydroxyphenyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-3-(2-fluoro-4-hydroxyphenyl)-5-(trifluoromethyl)benzamide;2-(2-ethenylphenyl)-3-(2-fluoro-4-hydroxyphenyl)-5-(trifluoromethyl)benzamide is C=Cc1ccccc1-c1c(C(N)=O)cc(C(F)(F)F)cc1-c1ccc(O)cc1F.COc1ccc(Cl)cc1-c1c(C(N)=O)cc(C(F)(F)F)cc1-c1ccc(O)cc1F.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-3-(2-fluoro-4-hydroxyphenyl)-5-(trifluoromethyl)benzamide;2-(2-ethenylphenyl)-3-(2-fluoro-4-hydroxyphenyl)-5-(trifluoromethyl)benzamide?
The InChIKey is JSDZBTKNACLOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F4NO2.C21H14ClF4NO3/c1-2-12-5-3-4-6-15(12)20-17(16-8-7-14(28)11-19(16)23)9-13(22(24,25)26)10-18(20)21(27)29;1-30-18-5-2-11(22)8-15(18)19-14(13-4-3-12(28)9-17(13)23)6-10(21(24,25)26)7-16(19)20(27)29/h2-11,28H,1H2,(H2,27,29);2-9,28H,1H3,(H2,27,29).
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-3-(2-fluoro-4-hydroxyphenyl)-5-(trifluoromethyl)benzamide;2-(2-ethenylphenyl)-3-(2-fluoro-4-hydroxyphenyl)-5-(trifluoromethyl)benzamide?
2-(5-chloro-2-methoxyphenyl)-3-(2-fluoro-4-hydroxyphenyl)-5-(trifluoromethyl)benzamide;2-(2-ethenylphenyl)-3-(2-fluoro-4-hydroxyphenyl)-5-(trifluoromethyl)benzamide has a molecular weight of 841.15 g/mol, XLogP of 11.27, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-3-(2-fluoro-4-hydroxyphenyl)-5-(trifluoromethyl)benzamide;2-(2-ethenylphenyl)-3-(2-fluoro-4-hydroxyphenyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 159008059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).