N-(4-chlorophenyl)-N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]morpholine-4-carboxamide;N-(4-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]morpholine-4-carboxamide

C43H39Cl2F6N7O7 — CID 160669247

About N-(4-chlorophenyl)-N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]morpholine-4-carboxamide;N-(4-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]morpholine-4-carboxamide

N-(4-chlorophenyl)-N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]morpholine-4-carboxamide;N-(4-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]morpholine-4-carboxamide (PubChem CID 160669247) has the molecular formula C43H39Cl2F6N7O7 and a molecular weight of 950.72 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]morpholine-4-carboxamide;N-(4-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]morpholine-4-carboxamide.

Molecular Properties

• Compound Name: N-(4-chlorophenyl)-N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]morpholine-4-carboxamide;N-(4-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]morpholine-4-carboxamide
• PubChem CID: 160669247
• Molecular Formula: C43H39Cl2F6N7O7
• Molecular Weight: 950.72 g/mol
• Exact Mass: 949.22
• IUPAC Name: N-(4-chlorophenyl)-N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]morpholine-4-carboxamide;N-(4-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]morpholine-4-carboxamide
• SMILES: O=C(CNC(=O)C(F)F)c1ccc(CN(C(=O)N2CCOCC2)c2ccc(Cl)cc2)c(F)c1.O=C(N1CCOCC1)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1F)c1ccc(Cl)cc1
• InChI: InChI=1S/C22H21ClF3N3O4.C21H18ClF3N4O3/c23-16-3-5-17(6-4-16)29(22(32)28-7-9-33-10-8-28)13-15-2-1-14(11-18(15)24)19(30)12-27-21(31)20(25)26;22-15-3-5-16(6-4-15)29(21(30)28-7-9-31-10-8-28)12-14-2-1-13(11-17(14)23)19-26-27-20(32-19)18(24)25/h1-6,11,20H,7-10,12-13H2,(H,27,31);1-6,11,18H,7-10,12H2
• InChIKey: RMSCRSDIYAJEMK-UHFFFAOYSA-N
• XLogP: 8.43
• TPSA: 150.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	950.72
LogP ≤ 5	8.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]morpholine-4-carboxamide;N-(4-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]morpholine-4-carboxamide?

The IUPAC name of N-(4-chlorophenyl)-N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]morpholine-4-carboxamide;N-(4-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]morpholine-4-carboxamide (CID 160669247) is N-(4-chlorophenyl)-N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]morpholine-4-carboxamide;N-(4-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]morpholine-4-carboxamide.

What is the SMILES notation for N-(4-chlorophenyl)-N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]morpholine-4-carboxamide;N-(4-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]morpholine-4-carboxamide?

The canonical SMILES for N-(4-chlorophenyl)-N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]morpholine-4-carboxamide;N-(4-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]morpholine-4-carboxamide is O=C(CNC(=O)C(F)F)c1ccc(CN(C(=O)N2CCOCC2)c2ccc(Cl)cc2)c(F)c1.O=C(N1CCOCC1)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1F)c1ccc(Cl)cc1.

What is the InChIKey of N-(4-chlorophenyl)-N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]morpholine-4-carboxamide;N-(4-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]morpholine-4-carboxamide?

The InChIKey is RMSCRSDIYAJEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClF3N3O4.C21H18ClF3N4O3/c23-16-3-5-17(6-4-16)29(22(32)28-7-9-33-10-8-28)13-15-2-1-14(11-18(15)24)19(30)12-27-21(31)20(25)26;22-15-3-5-16(6-4-15)29(21(30)28-7-9-31-10-8-28)12-14-2-1-13(11-17(14)23)19-26-27-20(32-19)18(24)25/h1-6,11,20H,7-10,12-13H2,(H,27,31);1-6,11,18H,7-10,12H2.

What are the key properties of N-(4-chlorophenyl)-N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]morpholine-4-carboxamide;N-(4-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]morpholine-4-carboxamide?

N-(4-chlorophenyl)-N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]morpholine-4-carboxamide;N-(4-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]morpholine-4-carboxamide has a molecular weight of 950.72 g/mol, XLogP of 8.43, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chlorophenyl)-N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]morpholine-4-carboxamide;N-(4-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 160669247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).