2-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;5-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-ethenyl-N-(4-fluoro-3-methylphenyl)benzamide;2-[1,1-difluoro-2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)ethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide

C81H88F15N11O9 — CID 162025910

About 2-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;5-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-ethenyl-N-(4-fluoro-3-methylphenyl)benzamide;2-[1,1-difluoro-2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)ethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide

2-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;5-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-ethenyl-N-(4-fluoro-3-methylphenyl)benzamide;2-[1,1-difluoro-2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)ethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide (PubChem CID 162025910) has the molecular formula C81H88F15N11O9 and a molecular weight of 1644.63 g/mol. Its IUPAC name is 2-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;5-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-ethenyl-N-(4-fluoro-3-methylphenyl)benzamide;2-[1,1-difluoro-2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)ethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 2-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;5-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-ethenyl-N-(4-fluoro-3-methylphenyl)benzamide;2-[1,1-difluoro-2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)ethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide
• PubChem CID: 162025910
• Molecular Formula: C81H88F15N11O9
• Molecular Weight: 1644.63 g/mol
• Exact Mass: 1643.65
• IUPAC Name: 2-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;5-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-ethenyl-N-(4-fluoro-3-methylphenyl)benzamide;2-[1,1-difluoro-2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)ethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide
• SMILES: C=Cc1ccc(C(=O)Nc2ccc(F)c(C)c2)cc1C(F)(F)C(=O)N1CCC(O)CC1.Cc1cc(NC(=O)c2c(C)cn(C)c2C(F)(F)C(=O)NC(C)(C)C)ccc1F.Cc1cc(NC(=O)c2ccn(C)c2C(F)(F)C(=O)NC(C)C(F)(F)F)ccc1F.Cc1cc(NC(=O)c2cn(C)c(C(F)(F)C(=O)NC(C)(C)C)c2C)ccc1F
• InChI: InChI=1S/C23H23F3N2O3.2C20H24F3N3O2.C18H17F6N3O2/c1-3-15-4-5-16(21(30)27-17-6-7-20(24)14(2)12-17)13-19(15)23(25,26)22(31)28-10-8-18(29)9-11-28;1-11-9-13(7-8-15(11)21)24-17(27)14-10-26(6)16(12(14)2)20(22,23)18(28)25-19(3,4)5;1-11-9-13(7-8-14(11)21)24-17(27)15-12(2)10-26(6)16(15)20(22,23)18(28)25-19(3,4)5;1-9-8-11(4-5-13(9)19)26-15(28)12-6-7-27(3)14(12)17(20,21)16(29)25-10(2)18(22,23)24/h3-7,12-13,18,29H,1,8-11H2,2H3,(H,27,30);2*7-10H,1-6H3,(H,24,27)(H,25,28);4-8,10H,1-3H3,(H,25,29)(H,26,28)
• InChIKey: YVJFEYDJVRRAAQ-UHFFFAOYSA-N
• XLogP: 16.07
• TPSA: 259.03 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1644.63
LogP ≤ 5	16.07
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;5-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-ethenyl-N-(4-fluoro-3-methylphenyl)benzamide;2-[1,1-difluoro-2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)ethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide?

The IUPAC name of 2-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;5-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-ethenyl-N-(4-fluoro-3-methylphenyl)benzamide;2-[1,1-difluoro-2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)ethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide (CID 162025910) is 2-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;5-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-ethenyl-N-(4-fluoro-3-methylphenyl)benzamide;2-[1,1-difluoro-2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)ethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide.

What is the SMILES notation for 2-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;5-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-ethenyl-N-(4-fluoro-3-methylphenyl)benzamide;2-[1,1-difluoro-2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)ethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide?

The canonical SMILES for 2-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;5-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-ethenyl-N-(4-fluoro-3-methylphenyl)benzamide;2-[1,1-difluoro-2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)ethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide is C=Cc1ccc(C(=O)Nc2ccc(F)c(C)c2)cc1C(F)(F)C(=O)N1CCC(O)CC1.Cc1cc(NC(=O)c2c(C)cn(C)c2C(F)(F)C(=O)NC(C)(C)C)ccc1F.Cc1cc(NC(=O)c2ccn(C)c2C(F)(F)C(=O)NC(C)C(F)(F)F)ccc1F.Cc1cc(NC(=O)c2cn(C)c(C(F)(F)C(=O)NC(C)(C)C)c2C)ccc1F.

What is the InChIKey of 2-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;5-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-ethenyl-N-(4-fluoro-3-methylphenyl)benzamide;2-[1,1-difluoro-2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)ethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide?

The InChIKey is YVJFEYDJVRRAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O3.2C20H24F3N3O2.C18H17F6N3O2/c1-3-15-4-5-16(21(30)27-17-6-7-20(24)14(2)12-17)13-19(15)23(25,26)22(31)28-10-8-18(29)9-11-28;1-11-9-13(7-8-15(11)21)24-17(27)14-10-26(6)16(12(14)2)20(22,23)18(28)25-19(3,4)5;1-11-9-13(7-8-14(11)21)24-17(27)15-12(2)10-26(6)16(15)20(22,23)18(28)25-19(3,4)5;1-9-8-11(4-5-13(9)19)26-15(28)12-6-7-27(3)14(12)17(20,21)16(29)25-10(2)18(22,23)24/h3-7,12-13,18,29H,1,8-11H2,2H3,(H,27,30);2*7-10H,1-6H3,(H,24,27)(H,25,28);4-8,10H,1-3H3,(H,25,29)(H,26,28).

What are the key properties of 2-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;5-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-ethenyl-N-(4-fluoro-3-methylphenyl)benzamide;2-[1,1-difluoro-2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)ethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide?

2-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;5-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-ethenyl-N-(4-fluoro-3-methylphenyl)benzamide;2-[1,1-difluoro-2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)ethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide has a molecular weight of 1644.63 g/mol, XLogP of 16.07, 18 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;5-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,4-dimethylpyrrole-3-carboxamide;3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-ethenyl-N-(4-fluoro-3-methylphenyl)benzamide;2-[1,1-difluoro-2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)ethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide is sourced from PubChem (CID 162025910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).