N-(2,4-difluorophenyl)-N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide;N-(2,4-difluorophenyl)-N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]morpholine-4-carboxamide

C43H35F12N7O7 — CID 158936071

About N-(2,4-difluorophenyl)-N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide;N-(2,4-difluorophenyl)-N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]morpholine-4-carboxamide

N-(2,4-difluorophenyl)-N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide;N-(2,4-difluorophenyl)-N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]morpholine-4-carboxamide (PubChem CID 158936071) has the molecular formula C43H35F12N7O7 and a molecular weight of 989.77 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide;N-(2,4-difluorophenyl)-N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]morpholine-4-carboxamide.

Molecular Properties

• Compound Name: N-(2,4-difluorophenyl)-N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide;N-(2,4-difluorophenyl)-N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]morpholine-4-carboxamide
• PubChem CID: 158936071
• Molecular Formula: C43H35F12N7O7
• Molecular Weight: 989.77 g/mol
• Exact Mass: 989.24
• IUPAC Name: N-(2,4-difluorophenyl)-N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide;N-(2,4-difluorophenyl)-N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]morpholine-4-carboxamide
• SMILES: O=C(CNC(=O)C(F)(F)F)c1ccc(CN(C(=O)N2CCOCC2)c2ccc(F)cc2F)c(F)c1.O=C(N1CCOCC1)N(Cc1ccc(-c2nnc(C(F)(F)F)o2)cc1F)c1ccc(F)cc1F
• InChI: InChI=1S/C22H19F6N3O4.C21H16F6N4O3/c23-15-3-4-18(17(25)10-15)31(21(34)30-5-7-35-8-6-30)12-14-2-1-13(9-16(14)24)19(32)11-29-20(33)22(26,27)28;22-14-3-4-17(16(24)10-14)31(20(32)30-5-7-33-8-6-30)11-13-2-1-12(9-15(13)23)18-28-29-19(34-18)21(25,26)27/h1-4,9-10H,5-8,11-12H2,(H,29,33);1-4,9-10H,5-8,11H2
• InChIKey: JJQVWZLKKUBESD-UHFFFAOYSA-N
• XLogP: 8.06
• TPSA: 150.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	989.77
LogP ≤ 5	8.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide;N-(2,4-difluorophenyl)-N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]morpholine-4-carboxamide?

The IUPAC name of N-(2,4-difluorophenyl)-N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide;N-(2,4-difluorophenyl)-N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]morpholine-4-carboxamide (CID 158936071) is N-(2,4-difluorophenyl)-N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide;N-(2,4-difluorophenyl)-N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]morpholine-4-carboxamide.

What is the SMILES notation for N-(2,4-difluorophenyl)-N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide;N-(2,4-difluorophenyl)-N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]morpholine-4-carboxamide?

The canonical SMILES for N-(2,4-difluorophenyl)-N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide;N-(2,4-difluorophenyl)-N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]morpholine-4-carboxamide is O=C(CNC(=O)C(F)(F)F)c1ccc(CN(C(=O)N2CCOCC2)c2ccc(F)cc2F)c(F)c1.O=C(N1CCOCC1)N(Cc1ccc(-c2nnc(C(F)(F)F)o2)cc1F)c1ccc(F)cc1F.

What is the InChIKey of N-(2,4-difluorophenyl)-N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide;N-(2,4-difluorophenyl)-N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]morpholine-4-carboxamide?

The InChIKey is JJQVWZLKKUBESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F6N3O4.C21H16F6N4O3/c23-15-3-4-18(17(25)10-15)31(21(34)30-5-7-35-8-6-30)12-14-2-1-13(9-16(14)24)19(32)11-29-20(33)22(26,27)28;22-14-3-4-17(16(24)10-14)31(20(32)30-5-7-33-8-6-30)11-13-2-1-12(9-15(13)23)18-28-29-19(34-18)21(25,26)27/h1-4,9-10H,5-8,11-12H2,(H,29,33);1-4,9-10H,5-8,11H2.

What are the key properties of N-(2,4-difluorophenyl)-N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide;N-(2,4-difluorophenyl)-N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]morpholine-4-carboxamide?

N-(2,4-difluorophenyl)-N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide;N-(2,4-difluorophenyl)-N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]morpholine-4-carboxamide has a molecular weight of 989.77 g/mol, XLogP of 8.06, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-difluorophenyl)-N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide;N-(2,4-difluorophenyl)-N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 158936071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).