3-[1,1-difluoro-2-(3-fluoro-4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(3,4,5-trifluorophenyl)benzamide;3-[1,1-difluoro-2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide;3-[1,1-difluoro-2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-4-fluoro-N-(3,4,5-trifluorophenyl)benzamide;3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide

C89H91F19N12O10 — CID 159536225

IUPAC3-[1,1-difluoro-2-(3-fluoro-4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(3,4,5-trifluorophenyl)benzamide;3-[1,1-difluoro-2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide;3-[1,1-difluoro-2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-4-fluoro-N-(3,4,5-trifluorophenyl)benzamide;3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide
SMILESC=C(N1[C@@H]2CC[C@H]1CC(O)C2)C(F)(F)c1cc(C(=O)Nc2cc(F)c(F)c(F)c2)ccc1F.C=C(N1[C@@H]2CC[C@H]1CC(O)C2)C(F)(F)c1cc(C(=O)Nc2cnn(C(C)C)c2)ccc1F.CC1(F)CN(C(=O)C(F)(F)c2cc(C(=O)Nc3cc(F)c(F)c(F)c3)ccc2F)CCC1O.CCC1(O)CCN(C(=O)C(F)(F)c2cc(C(=O)Nc3cnn(C(C)C)c3)ccc2F)CC1
InChIInChI=1S/C23H20F6N2O2.C23H27F3N4O2.C22H27F3N4O3.C21H17F7N2O3/c1-11(31-14-3-4-15(31)10-16(32)9-14)23(28,29)17-6-12(2-5-18(17)24)22(33)30-13-7-19(25)21(27)20(26)8-13;1-13(2)29-12-16(11-27-29)28-22(32)15-4-7-21(24)20(8-15)23(25,26)14(3)30-17-5-6-18(30)10-19(31)9-17;1-4-21(32)7-9-28(10-8-21)20(31)22(24,25)17-11-15(5-6-18(17)23)19(30)27-16-12-26-29(13-16)14(2)3;1-20(26)9-30(5-4-16(20)31)19(33)21(27,28)12-6-10(2-3-13(12)22)18(32)29-11-7-14(23)17(25)15(24)8-11/h2,5-8,14-16,32H,1,3-4,9-10H2,(H,30,33);4,7-8,11-13,17-19,31H,3,5-6,9-10H2,1-2H3,(H,28,32);5-6,11-14,32H,4,7-10H2,1-3H3,(H,27,30);2-3,6-8,16,31H,4-5,9H2,1H3,(H,29,32)/t14-,15+,16?;17-,18+,19?;;
InChIKeyMDPWWUHMUATQRW-SHYSFPAWSA-N
MW1849.74 g/mol
LogP17.16
Rot. Bonds21

About 3-[1,1-difluoro-2-(3-fluoro-4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(3,4,5-trifluorophenyl)benzamide;3-[1,1-difluoro-2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide;3-[1,1-difluoro-2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-4-fluoro-N-(3,4,5-trifluorophenyl)benzamide;3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide

3-[1,1-difluoro-2-(3-fluoro-4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(3,4,5-trifluorophenyl)benzamide;3-[1,1-difluoro-2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide;3-[1,1-difluoro-2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-4-fluoro-N-(3,4,5-trifluorophenyl)benzamide;3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide (PubChem CID 159536225) has the molecular formula C89H91F19N12O10 and a molecular weight of 1849.74 g/mol. Its IUPAC name is 3-[1,1-difluoro-2-(3-fluoro-4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(3,4,5-trifluorophenyl)benzamide;3-[1,1-difluoro-2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide;3-[1,1-difluoro-2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-4-fluoro-N-(3,4,5-trifluorophenyl)benzamide;3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-[1,1-difluoro-2-(3-fluoro-4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(3,4,5-trifluorophenyl)benzamide;3-[1,1-difluoro-2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide;3-[1,1-difluoro-2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-4-fluoro-N-(3,4,5-trifluorophenyl)benzamide;3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide
PubChem CID159536225
Molecular FormulaC89H91F19N12O10
Molecular Weight1849.74 g/mol
Exact Mass1848.67
IUPAC Name3-[1,1-difluoro-2-(3-fluoro-4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(3,4,5-trifluorophenyl)benzamide;3-[1,1-difluoro-2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide;3-[1,1-difluoro-2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-4-fluoro-N-(3,4,5-trifluorophenyl)benzamide;3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide
SMILESC=C(N1[C@@H]2CC[C@H]1CC(O)C2)C(F)(F)c1cc(C(=O)Nc2cc(F)c(F)c(F)c2)ccc1F.C=C(N1[C@@H]2CC[C@H]1CC(O)C2)C(F)(F)c1cc(C(=O)Nc2cnn(C(C)C)c2)ccc1F.CC1(F)CN(C(=O)C(F)(F)c2cc(C(=O)Nc3cc(F)c(F)c(F)c3)ccc2F)CCC1O.CCC1(O)CCN(C(=O)C(F)(F)c2cc(C(=O)Nc3cnn(C(C)C)c3)ccc2F)CC1
InChIInChI=1S/C23H20F6N2O2.C23H27F3N4O2.C22H27F3N4O3.C21H17F7N2O3/c1-11(31-14-3-4-15(31)10-16(32)9-14)23(28,29)17-6-12(2-5-18(17)24)22(33)30-13-7-19(25)21(27)20(26)8-13;1-13(2)29-12-16(11-27-29)28-22(32)15-4-7-21(24)20(8-15)23(25,26)14(3)30-17-5-6-18(30)10-19(31)9-17;1-4-21(32)7-9-28(10-8-21)20(31)22(24,25)17-11-15(5-6-18(17)23)19(30)27-16-12-26-29(13-16)14(2)3;1-20(26)9-30(5-4-16(20)31)19(33)21(27,28)12-6-10(2-3-13(12)22)18(32)29-11-7-14(23)17(25)15(24)8-11/h2,5-8,14-16,32H,1,3-4,9-10H2,(H,30,33);4,7-8,11-13,17-19,31H,3,5-6,9-10H2,1-2H3,(H,28,32);5-6,11-14,32H,4,7-10H2,1-3H3,(H,27,30);2-3,6-8,16,31H,4-5,9H2,1H3,(H,29,32)/t14-,15+,16?;17-,18+,19?;;
InChIKeyMDPWWUHMUATQRW-SHYSFPAWSA-N
XLogP17.16
TPSA280.06 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds21
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001849.74
LogP ≤ 517.16
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 3-[1,1-difluoro-2-(3-fluoro-4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(3,4,5-trifluorophenyl)benzamide;3-[1,1-difluoro-2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide;3-[1,1-difluoro-2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-4-fluoro-N-(3,4,5-trifluorophenyl)benzamide;3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(3,4,5-trifluorophenyl)benzamide;3-[1,1-difluoro-2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide;3-[1,1-difluoro-2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-4-fluoro-N-(3,4,5-trifluorophenyl)benzamide;3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide?
The IUPAC name of 3-[1,1-difluoro-2-(3-fluoro-4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(3,4,5-trifluorophenyl)benzamide;3-[1,1-difluoro-2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide;3-[1,1-difluoro-2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-4-fluoro-N-(3,4,5-trifluorophenyl)benzamide;3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide (CID 159536225) is 3-[1,1-difluoro-2-(3-fluoro-4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(3,4,5-trifluorophenyl)benzamide;3-[1,1-difluoro-2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide;3-[1,1-difluoro-2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-4-fluoro-N-(3,4,5-trifluorophenyl)benzamide;3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)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-(3,4,5-trifluorophenyl)benzamide;3-[1,1-difluoro-2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide;3-[1,1-difluoro-2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-4-fluoro-N-(3,4,5-trifluorophenyl)benzamide;3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide?
The canonical SMILES for 3-[1,1-difluoro-2-(3-fluoro-4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(3,4,5-trifluorophenyl)benzamide;3-[1,1-difluoro-2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide;3-[1,1-difluoro-2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-4-fluoro-N-(3,4,5-trifluorophenyl)benzamide;3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide is C=C(N1[C@@H]2CC[C@H]1CC(O)C2)C(F)(F)c1cc(C(=O)Nc2cc(F)c(F)c(F)c2)ccc1F.C=C(N1[C@@H]2CC[C@H]1CC(O)C2)C(F)(F)c1cc(C(=O)Nc2cnn(C(C)C)c2)ccc1F.CC1(F)CN(C(=O)C(F)(F)c2cc(C(=O)Nc3cc(F)c(F)c(F)c3)ccc2F)CCC1O.CCC1(O)CCN(C(=O)C(F)(F)c2cc(C(=O)Nc3cnn(C(C)C)c3)ccc2F)CC1.
What is the InChIKey of 3-[1,1-difluoro-2-(3-fluoro-4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(3,4,5-trifluorophenyl)benzamide;3-[1,1-difluoro-2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide;3-[1,1-difluoro-2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-4-fluoro-N-(3,4,5-trifluorophenyl)benzamide;3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide?
The InChIKey is MDPWWUHMUATQRW-SHYSFPAWSA-N. The full InChI is InChI=1S/C23H20F6N2O2.C23H27F3N4O2.C22H27F3N4O3.C21H17F7N2O3/c1-11(31-14-3-4-15(31)10-16(32)9-14)23(28,29)17-6-12(2-5-18(17)24)22(33)30-13-7-19(25)21(27)20(26)8-13;1-13(2)29-12-16(11-27-29)28-22(32)15-4-7-21(24)20(8-15)23(25,26)14(3)30-17-5-6-18(30)10-19(31)9-17;1-4-21(32)7-9-28(10-8-21)20(31)22(24,25)17-11-15(5-6-18(17)23)19(30)27-16-12-26-29(13-16)14(2)3;1-20(26)9-30(5-4-16(20)31)19(33)21(27,28)12-6-10(2-3-13(12)22)18(32)29-11-7-14(23)17(25)15(24)8-11/h2,5-8,14-16,32H,1,3-4,9-10H2,(H,30,33);4,7-8,11-13,17-19,31H,3,5-6,9-10H2,1-2H3,(H,28,32);5-6,11-14,32H,4,7-10H2,1-3H3,(H,27,30);2-3,6-8,16,31H,4-5,9H2,1H3,(H,29,32)/t14-,15+,16?;17-,18+,19?;;.
What are the key properties of 3-[1,1-difluoro-2-(3-fluoro-4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(3,4,5-trifluorophenyl)benzamide;3-[1,1-difluoro-2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide;3-[1,1-difluoro-2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-4-fluoro-N-(3,4,5-trifluorophenyl)benzamide;3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide?
3-[1,1-difluoro-2-(3-fluoro-4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(3,4,5-trifluorophenyl)benzamide;3-[1,1-difluoro-2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide;3-[1,1-difluoro-2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-4-fluoro-N-(3,4,5-trifluorophenyl)benzamide;3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide has a molecular weight of 1849.74 g/mol, XLogP of 17.16, 21 rotatable bonds, 8 hydrogen bond donors, and 16 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-(3,4,5-trifluorophenyl)benzamide;3-[1,1-difluoro-2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide;3-[1,1-difluoro-2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-enyl]-4-fluoro-N-(3,4,5-trifluorophenyl)benzamide;3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzamide is sourced from PubChem (CID 159536225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).