2-(3,5-difluorophenyl)-3-(4-hydroxyphenyl)-5-propan-2-ylbenzamide;3-(4-hydroxyphenyl)-2-phenyl-5-propan-2-ylbenzamide

C44H40F2N2O4 — CID 160961341

IUPAC2-(3,5-difluorophenyl)-3-(4-hydroxyphenyl)-5-propan-2-ylbenzamide;3-(4-hydroxyphenyl)-2-phenyl-5-propan-2-ylbenzamide
SMILESCC(C)c1cc(C(N)=O)c(-c2cc(F)cc(F)c2)c(-c2ccc(O)cc2)c1.CC(C)c1cc(C(N)=O)c(-c2ccccc2)c(-c2ccc(O)cc2)c1
InChIInChI=1S/C22H19F2NO2.C22H21NO2/c1-12(2)14-9-19(13-3-5-18(26)6-4-13)21(20(10-14)22(25)27)15-7-16(23)11-17(24)8-15;1-14(2)17-12-19(15-8-10-18(24)11-9-15)21(20(13-17)22(23)25)16-6-4-3-5-7-16/h3-12,26H,1-2H3,(H2,25,27);3-14,24H,1-2H3,(H2,23,25)
InChIKeySXAYDGYIVRKTRA-UHFFFAOYSA-N
MW698.81 g/mol
LogP10.18
Rot. Bonds8

About 2-(3,5-difluorophenyl)-3-(4-hydroxyphenyl)-5-propan-2-ylbenzamide;3-(4-hydroxyphenyl)-2-phenyl-5-propan-2-ylbenzamide

2-(3,5-difluorophenyl)-3-(4-hydroxyphenyl)-5-propan-2-ylbenzamide;3-(4-hydroxyphenyl)-2-phenyl-5-propan-2-ylbenzamide (PubChem CID 160961341) has the molecular formula C44H40F2N2O4 and a molecular weight of 698.81 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-3-(4-hydroxyphenyl)-5-propan-2-ylbenzamide;3-(4-hydroxyphenyl)-2-phenyl-5-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-3-(4-hydroxyphenyl)-5-propan-2-ylbenzamide;3-(4-hydroxyphenyl)-2-phenyl-5-propan-2-ylbenzamide
PubChem CID160961341
Molecular FormulaC44H40F2N2O4
Molecular Weight698.81 g/mol
Exact Mass698.30
IUPAC Name2-(3,5-difluorophenyl)-3-(4-hydroxyphenyl)-5-propan-2-ylbenzamide;3-(4-hydroxyphenyl)-2-phenyl-5-propan-2-ylbenzamide
SMILESCC(C)c1cc(C(N)=O)c(-c2cc(F)cc(F)c2)c(-c2ccc(O)cc2)c1.CC(C)c1cc(C(N)=O)c(-c2ccccc2)c(-c2ccc(O)cc2)c1
InChIInChI=1S/C22H19F2NO2.C22H21NO2/c1-12(2)14-9-19(13-3-5-18(26)6-4-13)21(20(10-14)22(25)27)15-7-16(23)11-17(24)8-15;1-14(2)17-12-19(15-8-10-18(24)11-9-15)21(20(13-17)22(23)25)16-6-4-3-5-7-16/h3-12,26H,1-2H3,(H2,25,27);3-14,24H,1-2H3,(H2,23,25)
InChIKeySXAYDGYIVRKTRA-UHFFFAOYSA-N
XLogP10.18
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.81
LogP ≤ 510.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-diphenyl-4-propan-2-ylphenol
CID 155045328
2-(3,5-difluorophenyl)-N'-hydroxy-3-(4-hydroxyphenyl)-5-(trifluoromethoxy)benzenecarboximidamide;N'-hydroxy-3-(4-hydroxyphenyl)-2-phenyl-5-(trifluoromethoxy)benzenecarboximidamide
CID 159296928
4-[3-[3-(4-hydroxyphenyl)-2,4,5-triphenylphenyl]-2,5,6-triphenylphenyl]phenol
CID 135173030
2-fluoro-5-methyl-4-phenylbenzamide
CID 171905692
3-amino-4,5-dimethyl-2-phenylbenzamide
CID 87844639
2-phenyl-5-propan-2-ylbenzohydrazide
CID 162373085
4-(2-methyl-5-propan-2-ylphenyl)phenol
CID 151746189
[3-(2-benzoyl-4-propan-2-ylphenyl)phenyl]-(4-hydroxyphenyl)methanone
CID 118052054
ethane;phenol;1-phenyl-4-propan-2-ylbenzene
CID 159836751
4-[1-(4-hydroxy-3,5-diphenylphenyl)ethyl]-2,6-diphenylphenol
CID 139825093
2,3-diphenylbenzamide;phosphoric acid
CID 68745056
4-[2-amino-3-(4-carboxyphenyl)-5-propan-2-ylphenyl]benzoic acid
CID 163197790

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-3-(4-hydroxyphenyl)-5-propan-2-ylbenzamide;3-(4-hydroxyphenyl)-2-phenyl-5-propan-2-ylbenzamide?
The IUPAC name of 2-(3,5-difluorophenyl)-3-(4-hydroxyphenyl)-5-propan-2-ylbenzamide;3-(4-hydroxyphenyl)-2-phenyl-5-propan-2-ylbenzamide (CID 160961341) is 2-(3,5-difluorophenyl)-3-(4-hydroxyphenyl)-5-propan-2-ylbenzamide;3-(4-hydroxyphenyl)-2-phenyl-5-propan-2-ylbenzamide.
What is the SMILES notation for 2-(3,5-difluorophenyl)-3-(4-hydroxyphenyl)-5-propan-2-ylbenzamide;3-(4-hydroxyphenyl)-2-phenyl-5-propan-2-ylbenzamide?
The canonical SMILES for 2-(3,5-difluorophenyl)-3-(4-hydroxyphenyl)-5-propan-2-ylbenzamide;3-(4-hydroxyphenyl)-2-phenyl-5-propan-2-ylbenzamide is CC(C)c1cc(C(N)=O)c(-c2cc(F)cc(F)c2)c(-c2ccc(O)cc2)c1.CC(C)c1cc(C(N)=O)c(-c2ccccc2)c(-c2ccc(O)cc2)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-3-(4-hydroxyphenyl)-5-propan-2-ylbenzamide;3-(4-hydroxyphenyl)-2-phenyl-5-propan-2-ylbenzamide?
The InChIKey is SXAYDGYIVRKTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2NO2.C22H21NO2/c1-12(2)14-9-19(13-3-5-18(26)6-4-13)21(20(10-14)22(25)27)15-7-16(23)11-17(24)8-15;1-14(2)17-12-19(15-8-10-18(24)11-9-15)21(20(13-17)22(23)25)16-6-4-3-5-7-16/h3-12,26H,1-2H3,(H2,25,27);3-14,24H,1-2H3,(H2,23,25).
What are the key properties of 2-(3,5-difluorophenyl)-3-(4-hydroxyphenyl)-5-propan-2-ylbenzamide;3-(4-hydroxyphenyl)-2-phenyl-5-propan-2-ylbenzamide?
2-(3,5-difluorophenyl)-3-(4-hydroxyphenyl)-5-propan-2-ylbenzamide;3-(4-hydroxyphenyl)-2-phenyl-5-propan-2-ylbenzamide has a molecular weight of 698.81 g/mol, XLogP of 10.18, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-3-(4-hydroxyphenyl)-5-propan-2-ylbenzamide;3-(4-hydroxyphenyl)-2-phenyl-5-propan-2-ylbenzamide is sourced from PubChem (CID 160961341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).