3-[1,1-difluoro-2-(3-fluoro-4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[1,1-difluoro-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)prop-2-enyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)prop-2-enyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide;3-[1,1-difluoro-2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide

C90H94F16N10O9 — CID 158444334

IUPAC3-[1,1-difluoro-2-(3-fluoro-4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[1,1-difluoro-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)prop-2-enyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)prop-2-enyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide;3-[1,1-difluoro-2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide
SMILESC=C(N1C2CCC1CC(O)C2)C(F)(F)c1cc(C(=O)Nc2ccc(F)c(C)c2)ccc1F.C=C(N1CCC(O)CC1)C(F)(F)c1cc(C(=O)Nc2cnn(C(C)C)c2)ccc1F.Cc1cc(NC(=O)c2ccc(F)c(C(F)(F)C(=O)N3CCC(O)C(C)(F)C3)c2)ccc1F.Cc1cc(NC(=O)c2ccc(F)c(C(F)(F)C(=O)NC3CCC(C)CC3)c2)ccc1F
InChIInChI=1S/C24H24F4N2O2.C23H24F4N2O2.C22H21F5N2O3.C21H25F3N4O2/c1-13-9-16(4-8-21(13)25)29-23(32)15-3-7-22(26)20(10-15)24(27,28)14(2)30-17-5-6-18(30)12-19(31)11-17;1-13-3-6-16(7-4-13)29-22(31)23(26,27)18-12-15(5-9-20(18)25)21(30)28-17-8-10-19(24)14(2)11-17;1-12-9-14(4-6-16(12)23)28-19(31)13-3-5-17(24)15(10-13)22(26,27)20(32)29-8-7-18(30)21(2,25)11-29;1-13(2)28-12-16(11-25-28)26-20(30)15-4-5-19(22)18(10-15)21(23,24)14(3)27-8-6-17(29)7-9-27/h3-4,7-10,17-19,31H,2,5-6,11-12H2,1H3,(H,29,32);5,8-13,16H,3-4,6-7H2,1-2H3,(H,28,30)(H,29,31);3-6,9-10,18,30H,7-8,11H2,1-2H3,(H,28,31);4-5,10-13,17,29H,3,6-9H2,1-2H3,(H,26,30)
InChIKeyHDEXAZLMCYRSGO-UHFFFAOYSA-N
MW1763.77 g/mol
LogP18.29
Rot. Bonds20

About 3-[1,1-difluoro-2-(3-fluoro-4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[1,1-difluoro-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)prop-2-enyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)prop-2-enyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide;3-[1,1-difluoro-2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide

3-[1,1-difluoro-2-(3-fluoro-4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[1,1-difluoro-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)prop-2-enyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)prop-2-enyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide;3-[1,1-difluoro-2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide (PubChem CID 158444334) has the molecular formula C90H94F16N10O9 and a molecular weight of 1763.77 g/mol. Its IUPAC name is 3-[1,1-difluoro-2-(3-fluoro-4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[1,1-difluoro-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)prop-2-enyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)prop-2-enyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide;3-[1,1-difluoro-2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide.

Molecular Properties

Compound Name3-[1,1-difluoro-2-(3-fluoro-4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[1,1-difluoro-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)prop-2-enyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)prop-2-enyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide;3-[1,1-difluoro-2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide
PubChem CID158444334
Molecular FormulaC90H94F16N10O9
Molecular Weight1763.77 g/mol
Exact Mass1762.69
IUPAC Name3-[1,1-difluoro-2-(3-fluoro-4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[1,1-difluoro-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)prop-2-enyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)prop-2-enyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide;3-[1,1-difluoro-2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide
SMILESC=C(N1C2CCC1CC(O)C2)C(F)(F)c1cc(C(=O)Nc2ccc(F)c(C)c2)ccc1F.C=C(N1CCC(O)CC1)C(F)(F)c1cc(C(=O)Nc2cnn(C(C)C)c2)ccc1F.Cc1cc(NC(=O)c2ccc(F)c(C(F)(F)C(=O)N3CCC(O)C(C)(F)C3)c2)ccc1F.Cc1cc(NC(=O)c2ccc(F)c(C(F)(F)C(=O)NC3CCC(C)CC3)c2)ccc1F
InChIInChI=1S/C24H24F4N2O2.C23H24F4N2O2.C22H21F5N2O3.C21H25F3N4O2/c1-13-9-16(4-8-21(13)25)29-23(32)15-3-7-22(26)20(10-15)24(27,28)14(2)30-17-5-6-18(30)12-19(31)11-17;1-13-3-6-16(7-4-13)29-22(31)23(26,27)18-12-15(5-9-20(18)25)21(30)28-17-8-10-19(24)14(2)11-17;1-12-9-14(4-6-16(12)23)28-19(31)13-3-5-17(24)15(10-13)22(26,27)20(32)29-8-7-18(30)21(2,25)11-29;1-13(2)28-12-16(11-25-28)26-20(30)15-4-5-19(22)18(10-15)21(23,24)14(3)27-8-6-17(29)7-9-27/h3-4,7-10,17-19,31H,2,5-6,11-12H2,1H3,(H,29,32);5,8-13,16H,3-4,6-7H2,1-2H3,(H,28,30)(H,29,31);3-6,9-10,18,30H,7-8,11H2,1-2H3,(H,28,31);4-5,10-13,17,29H,3,6-9H2,1-2H3,(H,26,30)
InChIKeyHDEXAZLMCYRSGO-UHFFFAOYSA-N
XLogP18.29
TPSA250.80 Ų
H-Bond Donors8
H-Bond Acceptors13
Rotatable Bonds20
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001763.77
LogP ≤ 518.29
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1013

Analyze 3-[1,1-difluoro-2-(3-fluoro-4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[1,1-difluoro-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)prop-2-enyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)prop-2-enyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide;3-[1,1-difluoro-2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[1,1-difluoro-2-(3-fluoro-4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[1,1-difluoro-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)prop-2-enyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)prop-2-enyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide;3-[1,1-difluoro-2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide?
The IUPAC name of 3-[1,1-difluoro-2-(3-fluoro-4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[1,1-difluoro-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)prop-2-enyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)prop-2-enyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide;3-[1,1-difluoro-2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide (CID 158444334) is 3-[1,1-difluoro-2-(3-fluoro-4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[1,1-difluoro-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)prop-2-enyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)prop-2-enyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide;3-[1,1-difluoro-2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide.
What is the SMILES notation for 3-[1,1-difluoro-2-(3-fluoro-4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[1,1-difluoro-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)prop-2-enyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)prop-2-enyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide;3-[1,1-difluoro-2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide?
The canonical SMILES for 3-[1,1-difluoro-2-(3-fluoro-4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[1,1-difluoro-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)prop-2-enyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)prop-2-enyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide;3-[1,1-difluoro-2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide is C=C(N1C2CCC1CC(O)C2)C(F)(F)c1cc(C(=O)Nc2ccc(F)c(C)c2)ccc1F.C=C(N1CCC(O)CC1)C(F)(F)c1cc(C(=O)Nc2cnn(C(C)C)c2)ccc1F.Cc1cc(NC(=O)c2ccc(F)c(C(F)(F)C(=O)N3CCC(O)C(C)(F)C3)c2)ccc1F.Cc1cc(NC(=O)c2ccc(F)c(C(F)(F)C(=O)NC3CCC(C)CC3)c2)ccc1F.
What is the InChIKey of 3-[1,1-difluoro-2-(3-fluoro-4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[1,1-difluoro-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)prop-2-enyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)prop-2-enyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide;3-[1,1-difluoro-2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide?
The InChIKey is HDEXAZLMCYRSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F4N2O2.C23H24F4N2O2.C22H21F5N2O3.C21H25F3N4O2/c1-13-9-16(4-8-21(13)25)29-23(32)15-3-7-22(26)20(10-15)24(27,28)14(2)30-17-5-6-18(30)12-19(31)11-17;1-13-3-6-16(7-4-13)29-22(31)23(26,27)18-12-15(5-9-20(18)25)21(30)28-17-8-10-19(24)14(2)11-17;1-12-9-14(4-6-16(12)23)28-19(31)13-3-5-17(24)15(10-13)22(26,27)20(32)29-8-7-18(30)21(2,25)11-29;1-13(2)28-12-16(11-25-28)26-20(30)15-4-5-19(22)18(10-15)21(23,24)14(3)27-8-6-17(29)7-9-27/h3-4,7-10,17-19,31H,2,5-6,11-12H2,1H3,(H,29,32);5,8-13,16H,3-4,6-7H2,1-2H3,(H,28,30)(H,29,31);3-6,9-10,18,30H,7-8,11H2,1-2H3,(H,28,31);4-5,10-13,17,29H,3,6-9H2,1-2H3,(H,26,30).
What are the key properties of 3-[1,1-difluoro-2-(3-fluoro-4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[1,1-difluoro-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)prop-2-enyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)prop-2-enyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide;3-[1,1-difluoro-2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide?
3-[1,1-difluoro-2-(3-fluoro-4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[1,1-difluoro-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)prop-2-enyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)prop-2-enyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide;3-[1,1-difluoro-2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide has a molecular weight of 1763.77 g/mol, XLogP of 18.29, 20 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,1-difluoro-2-(3-fluoro-4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[1,1-difluoro-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)prop-2-enyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)prop-2-enyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide;3-[1,1-difluoro-2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide is sourced from PubChem (CID 158444334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).