3-[5-(3,5-dimethyl-2H-pyrrol-4-yl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[5-(3-fluoro-5-methylphenyl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(2-methylpyrazol-3-yl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(3-methylthiophen-2-yl)phenyl]propanamide

C82H80FN7O8S — CID 162010077

IUPAC3-[5-(3,5-dimethyl-2H-pyrrol-4-yl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[5-(3-fluoro-5-methylphenyl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(2-methylpyrazol-3-yl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(3-methylthiophen-2-yl)phenyl]propanamide
SMILESCC1=NCC(C)=C1c1ccc(-c2cccc(O)c2)c(CCC(N)=O)c1.Cc1cc(F)cc(-c2ccc(-c3cccc(O)c3)c(CCC(N)=O)c2)c1.Cc1ccsc1-c1ccc(-c2cccc(O)c2)c(CCC(N)=O)c1.Cn1nccc1-c1ccc(-c2cccc(O)c2)c(CCC(N)=O)c1
InChIInChI=1S/C22H20FNO2.C21H22N2O2.C20H19NO2S.C19H19N3O2/c1-14-9-18(12-19(23)10-14)15-5-7-21(16-3-2-4-20(25)13-16)17(11-15)6-8-22(24)26;1-13-12-23-14(2)21(13)17-6-8-19(15-4-3-5-18(24)11-15)16(10-17)7-9-20(22)25;1-13-9-10-24-20(13)16-5-7-18(14-3-2-4-17(22)12-14)15(11-16)6-8-19(21)23;1-22-18(9-10-21-22)15-5-7-17(13-3-2-4-16(23)12-13)14(11-15)6-8-19(20)24/h2-5,7,9-13,25H,6,8H2,1H3,(H2,24,26);3-6,8,10-11,24H,7,9,12H2,1-2H3,(H2,22,25);2-5,7,9-12,22H,6,8H2,1H3,(H2,21,23);2-5,7,9-12,23H,6,8H2,1H3,(H2,20,24)
InChIKeyYTIVJMZHXRGGFA-UHFFFAOYSA-N
MW1342.65 g/mol
LogP15.71
Rot. Bonds20

About 3-[5-(3,5-dimethyl-2H-pyrrol-4-yl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[5-(3-fluoro-5-methylphenyl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(2-methylpyrazol-3-yl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(3-methylthiophen-2-yl)phenyl]propanamide

3-[5-(3,5-dimethyl-2H-pyrrol-4-yl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[5-(3-fluoro-5-methylphenyl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(2-methylpyrazol-3-yl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(3-methylthiophen-2-yl)phenyl]propanamide (PubChem CID 162010077) has the molecular formula C82H80FN7O8S and a molecular weight of 1342.65 g/mol. Its IUPAC name is 3-[5-(3,5-dimethyl-2H-pyrrol-4-yl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[5-(3-fluoro-5-methylphenyl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(2-methylpyrazol-3-yl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(3-methylthiophen-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-[5-(3,5-dimethyl-2H-pyrrol-4-yl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[5-(3-fluoro-5-methylphenyl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(2-methylpyrazol-3-yl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(3-methylthiophen-2-yl)phenyl]propanamide
PubChem CID162010077
Molecular FormulaC82H80FN7O8S
Molecular Weight1342.65 g/mol
Exact Mass1341.58
IUPAC Name3-[5-(3,5-dimethyl-2H-pyrrol-4-yl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[5-(3-fluoro-5-methylphenyl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(2-methylpyrazol-3-yl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(3-methylthiophen-2-yl)phenyl]propanamide
SMILESCC1=NCC(C)=C1c1ccc(-c2cccc(O)c2)c(CCC(N)=O)c1.Cc1cc(F)cc(-c2ccc(-c3cccc(O)c3)c(CCC(N)=O)c2)c1.Cc1ccsc1-c1ccc(-c2cccc(O)c2)c(CCC(N)=O)c1.Cn1nccc1-c1ccc(-c2cccc(O)c2)c(CCC(N)=O)c1
InChIInChI=1S/C22H20FNO2.C21H22N2O2.C20H19NO2S.C19H19N3O2/c1-14-9-18(12-19(23)10-14)15-5-7-21(16-3-2-4-20(25)13-16)17(11-15)6-8-22(24)26;1-13-12-23-14(2)21(13)17-6-8-19(15-4-3-5-18(24)11-15)16(10-17)7-9-20(22)25;1-13-9-10-24-20(13)16-5-7-18(14-3-2-4-17(22)12-14)15(11-16)6-8-19(21)23;1-22-18(9-10-21-22)15-5-7-17(13-3-2-4-16(23)12-13)14(11-15)6-8-19(20)24/h2-5,7,9-13,25H,6,8H2,1H3,(H2,24,26);3-6,8,10-11,24H,7,9,12H2,1-2H3,(H2,22,25);2-5,7,9-12,22H,6,8H2,1H3,(H2,21,23);2-5,7,9-12,23H,6,8H2,1H3,(H2,20,24)
InChIKeyYTIVJMZHXRGGFA-UHFFFAOYSA-N
XLogP15.71
TPSA283.46 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms99
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001342.65
LogP ≤ 515.71
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Analyze 3-[5-(3,5-dimethyl-2H-pyrrol-4-yl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[5-(3-fluoro-5-methylphenyl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(2-methylpyrazol-3-yl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(3-methylthiophen-2-yl)phenyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,5-dimethyl-2H-pyrrol-4-yl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[5-(3-fluoro-5-methylphenyl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(2-methylpyrazol-3-yl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(3-methylthiophen-2-yl)phenyl]propanamide?
The IUPAC name of 3-[5-(3,5-dimethyl-2H-pyrrol-4-yl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[5-(3-fluoro-5-methylphenyl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(2-methylpyrazol-3-yl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(3-methylthiophen-2-yl)phenyl]propanamide (CID 162010077) is 3-[5-(3,5-dimethyl-2H-pyrrol-4-yl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[5-(3-fluoro-5-methylphenyl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(2-methylpyrazol-3-yl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(3-methylthiophen-2-yl)phenyl]propanamide.
What is the SMILES notation for 3-[5-(3,5-dimethyl-2H-pyrrol-4-yl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[5-(3-fluoro-5-methylphenyl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(2-methylpyrazol-3-yl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(3-methylthiophen-2-yl)phenyl]propanamide?
The canonical SMILES for 3-[5-(3,5-dimethyl-2H-pyrrol-4-yl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[5-(3-fluoro-5-methylphenyl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(2-methylpyrazol-3-yl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(3-methylthiophen-2-yl)phenyl]propanamide is CC1=NCC(C)=C1c1ccc(-c2cccc(O)c2)c(CCC(N)=O)c1.Cc1cc(F)cc(-c2ccc(-c3cccc(O)c3)c(CCC(N)=O)c2)c1.Cc1ccsc1-c1ccc(-c2cccc(O)c2)c(CCC(N)=O)c1.Cn1nccc1-c1ccc(-c2cccc(O)c2)c(CCC(N)=O)c1.
What is the InChIKey of 3-[5-(3,5-dimethyl-2H-pyrrol-4-yl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[5-(3-fluoro-5-methylphenyl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(2-methylpyrazol-3-yl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(3-methylthiophen-2-yl)phenyl]propanamide?
The InChIKey is YTIVJMZHXRGGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO2.C21H22N2O2.C20H19NO2S.C19H19N3O2/c1-14-9-18(12-19(23)10-14)15-5-7-21(16-3-2-4-20(25)13-16)17(11-15)6-8-22(24)26;1-13-12-23-14(2)21(13)17-6-8-19(15-4-3-5-18(24)11-15)16(10-17)7-9-20(22)25;1-13-9-10-24-20(13)16-5-7-18(14-3-2-4-17(22)12-14)15(11-16)6-8-19(21)23;1-22-18(9-10-21-22)15-5-7-17(13-3-2-4-16(23)12-13)14(11-15)6-8-19(20)24/h2-5,7,9-13,25H,6,8H2,1H3,(H2,24,26);3-6,8,10-11,24H,7,9,12H2,1-2H3,(H2,22,25);2-5,7,9-12,22H,6,8H2,1H3,(H2,21,23);2-5,7,9-12,23H,6,8H2,1H3,(H2,20,24).
What are the key properties of 3-[5-(3,5-dimethyl-2H-pyrrol-4-yl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[5-(3-fluoro-5-methylphenyl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(2-methylpyrazol-3-yl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(3-methylthiophen-2-yl)phenyl]propanamide?
3-[5-(3,5-dimethyl-2H-pyrrol-4-yl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[5-(3-fluoro-5-methylphenyl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(2-methylpyrazol-3-yl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(3-methylthiophen-2-yl)phenyl]propanamide has a molecular weight of 1342.65 g/mol, XLogP of 15.71, 20 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3,5-dimethyl-2H-pyrrol-4-yl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[5-(3-fluoro-5-methylphenyl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(2-methylpyrazol-3-yl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(3-methylthiophen-2-yl)phenyl]propanamide is sourced from PubChem (CID 162010077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).