3-[2-(4-acetylpiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-4-[(1S)-1-hydroxypropyl]benzamide;3-[2-(tert-butylamino)-1-hydroxy-2-oxoethyl]-N-(3,4-difluorophenyl)-4-fluorobenzamide;3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-4-[(1S)-1-hydroxypropyl]benzamide

C89H95F13N8O13 — CID 163961603

IUPAC3-[2-(4-acetylpiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-4-[(1S)-1-hydroxypropyl]benzamide;3-[2-(tert-butylamino)-1-hydroxy-2-oxoethyl]-N-(3,4-difluorophenyl)-4-fluorobenzamide;3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-4-[(1S)-1-hydroxypropyl]benzamide
SMILESCC(=O)C1CCN(C(=O)C(F)(F)c2cc(C(=O)Nc3ccc(F)c(C)c3)ccc2F)CC1.CC(C)(C)NC(=O)C(O)c1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1F.CC[C@H](O)c1ccc(C(=O)Nc2ccc(F)c(C)c2)cc1C(F)(F)C(=O)N1CCC(O)CC1.CC[C@H](O)c1ccc(C(=O)Nc2ccc(F)c(C)c2)cc1C(F)(F)C(=O)NC(C)(C)C
InChIInChI=1S/C24H27F3N2O4.C23H22F4N2O3.C23H27F3N2O3.C19H19F3N2O3/c1-3-21(31)18-6-4-15(22(32)28-16-5-7-20(25)14(2)12-16)13-19(18)24(26,27)23(33)29-10-8-17(30)9-11-29;1-13-11-17(4-6-19(13)24)28-21(31)16-3-5-20(25)18(12-16)23(26,27)22(32)29-9-7-15(8-10-29)14(2)30;1-6-19(29)16-9-7-14(20(30)27-15-8-10-18(24)13(2)11-15)12-17(16)23(25,26)21(31)28-22(3,4)5;1-19(2,3)24-18(27)16(25)12-8-10(4-6-13(12)20)17(26)23-11-5-7-14(21)15(22)9-11/h4-7,12-13,17,21,30-31H,3,8-11H2,1-2H3,(H,28,32);3-6,11-12,15H,7-10H2,1-2H3,(H,28,31);7-12,19,29H,6H2,1-5H3,(H,27,30)(H,28,31);4-9,16,25H,1-3H3,(H,23,26)(H,24,27)/t21-;;19-;/m0.0./s1
InChIKeySHYSRFPTBMTHKX-UCEDEQJFSA-N
MW1731.76 g/mol
LogP16.49
Rot. Bonds21

About 3-[2-(4-acetylpiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-4-[(1S)-1-hydroxypropyl]benzamide;3-[2-(tert-butylamino)-1-hydroxy-2-oxoethyl]-N-(3,4-difluorophenyl)-4-fluorobenzamide;3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-4-[(1S)-1-hydroxypropyl]benzamide

3-[2-(4-acetylpiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-4-[(1S)-1-hydroxypropyl]benzamide;3-[2-(tert-butylamino)-1-hydroxy-2-oxoethyl]-N-(3,4-difluorophenyl)-4-fluorobenzamide;3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-4-[(1S)-1-hydroxypropyl]benzamide (PubChem CID 163961603) has the molecular formula C89H95F13N8O13 and a molecular weight of 1731.76 g/mol. Its IUPAC name is 3-[2-(4-acetylpiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-4-[(1S)-1-hydroxypropyl]benzamide;3-[2-(tert-butylamino)-1-hydroxy-2-oxoethyl]-N-(3,4-difluorophenyl)-4-fluorobenzamide;3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-4-[(1S)-1-hydroxypropyl]benzamide.

Molecular Properties

Compound Name3-[2-(4-acetylpiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-4-[(1S)-1-hydroxypropyl]benzamide;3-[2-(tert-butylamino)-1-hydroxy-2-oxoethyl]-N-(3,4-difluorophenyl)-4-fluorobenzamide;3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-4-[(1S)-1-hydroxypropyl]benzamide
PubChem CID163961603
Molecular FormulaC89H95F13N8O13
Molecular Weight1731.76 g/mol
Exact Mass1730.68
IUPAC Name3-[2-(4-acetylpiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-4-[(1S)-1-hydroxypropyl]benzamide;3-[2-(tert-butylamino)-1-hydroxy-2-oxoethyl]-N-(3,4-difluorophenyl)-4-fluorobenzamide;3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-4-[(1S)-1-hydroxypropyl]benzamide
SMILESCC(=O)C1CCN(C(=O)C(F)(F)c2cc(C(=O)Nc3ccc(F)c(C)c3)ccc2F)CC1.CC(C)(C)NC(=O)C(O)c1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1F.CC[C@H](O)c1ccc(C(=O)Nc2ccc(F)c(C)c2)cc1C(F)(F)C(=O)N1CCC(O)CC1.CC[C@H](O)c1ccc(C(=O)Nc2ccc(F)c(C)c2)cc1C(F)(F)C(=O)NC(C)(C)C
InChIInChI=1S/C24H27F3N2O4.C23H22F4N2O3.C23H27F3N2O3.C19H19F3N2O3/c1-3-21(31)18-6-4-15(22(32)28-16-5-7-20(25)14(2)12-16)13-19(18)24(26,27)23(33)29-10-8-17(30)9-11-29;1-13-11-17(4-6-19(13)24)28-21(31)16-3-5-20(25)18(12-16)23(26,27)22(32)29-9-7-15(8-10-29)14(2)30;1-6-19(29)16-9-7-14(20(30)27-15-8-10-18(24)13(2)11-15)12-17(16)23(25,26)21(31)28-22(3,4)5;1-19(2,3)24-18(27)16(25)12-8-10(4-6-13(12)20)17(26)23-11-5-7-14(21)15(22)9-11/h4-7,12-13,17,21,30-31H,3,8-11H2,1-2H3,(H,28,32);3-6,11-12,15H,7-10H2,1-2H3,(H,28,31);7-12,19,29H,6H2,1-5H3,(H,27,30)(H,28,31);4-9,16,25H,1-3H3,(H,23,26)(H,24,27)/t21-;;19-;/m0.0./s1
InChIKeySHYSRFPTBMTHKX-UCEDEQJFSA-N
XLogP16.49
TPSA313.21 Ų
H-Bond Donors10
H-Bond Acceptors13
Rotatable Bonds21
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001731.76
LogP ≤ 516.49
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1013

Analyze 3-[2-(4-acetylpiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-4-[(1S)-1-hydroxypropyl]benzamide;3-[2-(tert-butylamino)-1-hydroxy-2-oxoethyl]-N-(3,4-difluorophenyl)-4-fluorobenzamide;3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-4-[(1S)-1-hydroxypropyl]benzamide with MolForge

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Related Compounds

3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-(1,2-dihydroxyethyl)-N-(4-fluoro-3-methylphenyl)benzamide
CID 138688435
N-(3,4-difluorophenyl)-3-[2-[(3S)-3-ethylpyrrolidin-1-yl]-1,1-difluoro-2-oxoethyl]-4-fluorobenzamide
CID 158209856
3-[1,1-difluoro-2-[(5R)-3-(morpholine-4-carbonyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide
CID 139302032
4-chloro-3-[2-[(3S,4R)-3,4-dihydroxypiperidin-1-yl]-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)benzamide
CID 139302775
2-[2-[(1R)-1,2-dihydroxyethyl]-5-[(4-fluoro-3-methylphenyl)carbamoyl]phenyl]-2,2-difluoroacetic acid
CID 138688572
3-[2-[3-(cyanomethyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide
CID 139302367
3-[2-[(5R)-8-azabicyclo[3.2.1]octan-8-yl]-1,1-difluoro-2-oxoethyl]-N-(3,4-difluoro-5-methylphenyl)-4-fluorobenzamide
CID 142605744
3-[2-[(1R,2S,5R,7S)-7-amino-2-methyl-9-azabicyclo[3.3.1]nonan-9-yl]-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide
CID 166970271
3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)prop-2-enyl]-4-fluoro-N-(4-fluoro-3-isocyanophenyl)benzamide
CID 159798289
4-chloro-3-[2-(3,6-dihydro-2H-pyridin-1-yl)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)benzamide
CID 138688547
N-(3,4-difluorophenyl)-4-fluoro-3-[1-fluoro-2-(2-methylbutan-2-ylamino)-2-oxoethyl]benzamide
CID 159727899
3-[1,1-difluoro-2-[[(2S)-3-hydroxy-2-methylpropyl]amino]-2-oxoethyl]-N-(3,4-difluorophenyl)-4-fluorobenzamide
CID 157104403

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-acetylpiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-4-[(1S)-1-hydroxypropyl]benzamide;3-[2-(tert-butylamino)-1-hydroxy-2-oxoethyl]-N-(3,4-difluorophenyl)-4-fluorobenzamide;3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-4-[(1S)-1-hydroxypropyl]benzamide?
The IUPAC name of 3-[2-(4-acetylpiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-4-[(1S)-1-hydroxypropyl]benzamide;3-[2-(tert-butylamino)-1-hydroxy-2-oxoethyl]-N-(3,4-difluorophenyl)-4-fluorobenzamide;3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-4-[(1S)-1-hydroxypropyl]benzamide (CID 163961603) is 3-[2-(4-acetylpiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-4-[(1S)-1-hydroxypropyl]benzamide;3-[2-(tert-butylamino)-1-hydroxy-2-oxoethyl]-N-(3,4-difluorophenyl)-4-fluorobenzamide;3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-4-[(1S)-1-hydroxypropyl]benzamide.
What is the SMILES notation for 3-[2-(4-acetylpiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-4-[(1S)-1-hydroxypropyl]benzamide;3-[2-(tert-butylamino)-1-hydroxy-2-oxoethyl]-N-(3,4-difluorophenyl)-4-fluorobenzamide;3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-4-[(1S)-1-hydroxypropyl]benzamide?
The canonical SMILES for 3-[2-(4-acetylpiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-4-[(1S)-1-hydroxypropyl]benzamide;3-[2-(tert-butylamino)-1-hydroxy-2-oxoethyl]-N-(3,4-difluorophenyl)-4-fluorobenzamide;3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-4-[(1S)-1-hydroxypropyl]benzamide is CC(=O)C1CCN(C(=O)C(F)(F)c2cc(C(=O)Nc3ccc(F)c(C)c3)ccc2F)CC1.CC(C)(C)NC(=O)C(O)c1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1F.CC[C@H](O)c1ccc(C(=O)Nc2ccc(F)c(C)c2)cc1C(F)(F)C(=O)N1CCC(O)CC1.CC[C@H](O)c1ccc(C(=O)Nc2ccc(F)c(C)c2)cc1C(F)(F)C(=O)NC(C)(C)C.
What is the InChIKey of 3-[2-(4-acetylpiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-4-[(1S)-1-hydroxypropyl]benzamide;3-[2-(tert-butylamino)-1-hydroxy-2-oxoethyl]-N-(3,4-difluorophenyl)-4-fluorobenzamide;3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-4-[(1S)-1-hydroxypropyl]benzamide?
The InChIKey is SHYSRFPTBMTHKX-UCEDEQJFSA-N. The full InChI is InChI=1S/C24H27F3N2O4.C23H22F4N2O3.C23H27F3N2O3.C19H19F3N2O3/c1-3-21(31)18-6-4-15(22(32)28-16-5-7-20(25)14(2)12-16)13-19(18)24(26,27)23(33)29-10-8-17(30)9-11-29;1-13-11-17(4-6-19(13)24)28-21(31)16-3-5-20(25)18(12-16)23(26,27)22(32)29-9-7-15(8-10-29)14(2)30;1-6-19(29)16-9-7-14(20(30)27-15-8-10-18(24)13(2)11-15)12-17(16)23(25,26)21(31)28-22(3,4)5;1-19(2,3)24-18(27)16(25)12-8-10(4-6-13(12)20)17(26)23-11-5-7-14(21)15(22)9-11/h4-7,12-13,17,21,30-31H,3,8-11H2,1-2H3,(H,28,32);3-6,11-12,15H,7-10H2,1-2H3,(H,28,31);7-12,19,29H,6H2,1-5H3,(H,27,30)(H,28,31);4-9,16,25H,1-3H3,(H,23,26)(H,24,27)/t21-;;19-;/m0.0./s1.
What are the key properties of 3-[2-(4-acetylpiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-4-[(1S)-1-hydroxypropyl]benzamide;3-[2-(tert-butylamino)-1-hydroxy-2-oxoethyl]-N-(3,4-difluorophenyl)-4-fluorobenzamide;3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-4-[(1S)-1-hydroxypropyl]benzamide?
3-[2-(4-acetylpiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-4-[(1S)-1-hydroxypropyl]benzamide;3-[2-(tert-butylamino)-1-hydroxy-2-oxoethyl]-N-(3,4-difluorophenyl)-4-fluorobenzamide;3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-4-[(1S)-1-hydroxypropyl]benzamide has a molecular weight of 1731.76 g/mol, XLogP of 16.49, 21 rotatable bonds, 10 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-acetylpiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-4-[(1S)-1-hydroxypropyl]benzamide;3-[2-(tert-butylamino)-1-hydroxy-2-oxoethyl]-N-(3,4-difluorophenyl)-4-fluorobenzamide;3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-4-[(1S)-1-hydroxypropyl]benzamide is sourced from PubChem (CID 163961603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).