N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(2,4-difluorophenyl)morpholine-4-carboxamide;N-(2,4-difluorophenyl)-N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide

C42H39F9N6O7 — CID 157061665

About N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(2,4-difluorophenyl)morpholine-4-carboxamide;N-(2,4-difluorophenyl)-N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide

N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(2,4-difluorophenyl)morpholine-4-carboxamide;N-(2,4-difluorophenyl)-N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide (PubChem CID 157061665) has the molecular formula C42H39F9N6O7 and a molecular weight of 910.79 g/mol. Its IUPAC name is N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(2,4-difluorophenyl)morpholine-4-carboxamide;N-(2,4-difluorophenyl)-N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide.

Molecular Properties

• Compound Name: N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(2,4-difluorophenyl)morpholine-4-carboxamide;N-(2,4-difluorophenyl)-N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide
• PubChem CID: 157061665
• Molecular Formula: C42H39F9N6O7
• Molecular Weight: 910.79 g/mol
• Exact Mass: 910.27
• IUPAC Name: N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(2,4-difluorophenyl)morpholine-4-carboxamide;N-(2,4-difluorophenyl)-N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide
• SMILES: NCC(=O)c1ccc(CN(C(=O)N2CCOCC2)c2ccc(F)cc2F)c(F)c1.O=C(CNC(=O)C(F)(F)F)c1ccc(CN(C(=O)N2CCOCC2)c2ccc(F)cc2F)c(F)c1
• InChI: InChI=1S/C22H19F6N3O4.C20H20F3N3O3/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;21-15-3-4-18(17(23)10-15)26(20(28)25-5-7-29-8-6-25)12-14-2-1-13(9-16(14)22)19(27)11-24/h1-4,9-10H,5-8,11-12H2,(H,29,33);1-4,9-10H,5-8,11-12,24H2
• InChIKey: ABKBORALTIDPOG-UHFFFAOYSA-N
• XLogP: 6.13
• TPSA: 154.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	910.79
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(2,4-difluorophenyl)morpholine-4-carboxamide;N-(2,4-difluorophenyl)-N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide?

The IUPAC name of N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(2,4-difluorophenyl)morpholine-4-carboxamide;N-(2,4-difluorophenyl)-N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide (CID 157061665) is N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(2,4-difluorophenyl)morpholine-4-carboxamide;N-(2,4-difluorophenyl)-N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide.

What is the SMILES notation for N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(2,4-difluorophenyl)morpholine-4-carboxamide;N-(2,4-difluorophenyl)-N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide?

The canonical SMILES for N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(2,4-difluorophenyl)morpholine-4-carboxamide;N-(2,4-difluorophenyl)-N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide is NCC(=O)c1ccc(CN(C(=O)N2CCOCC2)c2ccc(F)cc2F)c(F)c1.O=C(CNC(=O)C(F)(F)F)c1ccc(CN(C(=O)N2CCOCC2)c2ccc(F)cc2F)c(F)c1.

What is the InChIKey of N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(2,4-difluorophenyl)morpholine-4-carboxamide;N-(2,4-difluorophenyl)-N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide?

The InChIKey is ABKBORALTIDPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F6N3O4.C20H20F3N3O3/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;21-15-3-4-18(17(23)10-15)26(20(28)25-5-7-29-8-6-25)12-14-2-1-13(9-16(14)22)19(27)11-24/h1-4,9-10H,5-8,11-12H2,(H,29,33);1-4,9-10H,5-8,11-12,24H2.

What are the key properties of N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(2,4-difluorophenyl)morpholine-4-carboxamide;N-(2,4-difluorophenyl)-N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide?

N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(2,4-difluorophenyl)morpholine-4-carboxamide;N-(2,4-difluorophenyl)-N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide has a molecular weight of 910.79 g/mol, XLogP of 6.13, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(2,4-difluorophenyl)morpholine-4-carboxamide;N-(2,4-difluorophenyl)-N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 157061665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).