N-[(1R)-1-[4-(aminomethyl)phenyl]-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(4-cyanophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methanol

C63H46F18N4O5 — CID 162170801

About N-[(1R)-1-[4-(aminomethyl)phenyl]-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(4-cyanophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methanol

N-[(1R)-1-[4-(aminomethyl)phenyl]-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(4-cyanophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methanol (PubChem CID 162170801) has the molecular formula C63H46F18N4O5 and a molecular weight of 1281.05 g/mol. Its IUPAC name is N-[(1R)-1-[4-(aminomethyl)phenyl]-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(4-cyanophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methanol.

Molecular Properties

• Compound Name: N-[(1R)-1-[4-(aminomethyl)phenyl]-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(4-cyanophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methanol
• PubChem CID: 162170801
• Molecular Formula: C63H46F18N4O5
• Molecular Weight: 1281.05 g/mol
• Exact Mass: 1280.32
• IUPAC Name: N-[(1R)-1-[4-(aminomethyl)phenyl]-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(4-cyanophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methanol
• SMILES: CO.N#Cc1ccc([C@@](Cc2ccccc2)(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c2cc(F)cc(OC(F)(F)C(F)F)c2)cc1.NCc1ccc([C@@](Cc2ccccc2)(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c2cc(F)cc(OC(F)(F)C(F)F)c2)cc1
• InChI: InChI=1S/C31H23F9N2O2.C31H19F9N2O2.CH4O/c2*32-23-13-22(14-24(15-23)44-31(39,40)28(34)35)29(16-18-4-2-1-3-5-18,21-9-6-19(17-41)7-10-21)42-27(43)20-8-11-26(33)25(12-20)30(36,37)38;1-2/h1-15,28H,16-17,41H2,(H,42,43);1-15,28H,16H2,(H,42,43);2H,1H3/t2*29-;/m11./s1
• InChIKey: ZNTKSNGXWDKYPO-YAFKJOOVSA-N
• XLogP: 15.21
• TPSA: 146.70 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 19
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1281.05
LogP ≤ 5	15.21
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-(aminomethyl)phenyl]-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(4-cyanophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methanol?

The IUPAC name of N-[(1R)-1-[4-(aminomethyl)phenyl]-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(4-cyanophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methanol (CID 162170801) is N-[(1R)-1-[4-(aminomethyl)phenyl]-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(4-cyanophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methanol.

What is the SMILES notation for N-[(1R)-1-[4-(aminomethyl)phenyl]-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(4-cyanophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methanol?

The canonical SMILES for N-[(1R)-1-[4-(aminomethyl)phenyl]-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(4-cyanophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methanol is CO.N#Cc1ccc([C@@](Cc2ccccc2)(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c2cc(F)cc(OC(F)(F)C(F)F)c2)cc1.NCc1ccc([C@@](Cc2ccccc2)(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c2cc(F)cc(OC(F)(F)C(F)F)c2)cc1.

What is the InChIKey of N-[(1R)-1-[4-(aminomethyl)phenyl]-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(4-cyanophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methanol?

The InChIKey is ZNTKSNGXWDKYPO-YAFKJOOVSA-N. The full InChI is InChI=1S/C31H23F9N2O2.C31H19F9N2O2.CH4O/c2*32-23-13-22(14-24(15-23)44-31(39,40)28(34)35)29(16-18-4-2-1-3-5-18,21-9-6-19(17-41)7-10-21)42-27(43)20-8-11-26(33)25(12-20)30(36,37)38;1-2/h1-15,28H,16-17,41H2,(H,42,43);1-15,28H,16H2,(H,42,43);2H,1H3/t2*29-;/m11./s1.

What are the key properties of N-[(1R)-1-[4-(aminomethyl)phenyl]-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(4-cyanophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methanol?

N-[(1R)-1-[4-(aminomethyl)phenyl]-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(4-cyanophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methanol has a molecular weight of 1281.05 g/mol, XLogP of 15.21, 19 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-[4-(aminomethyl)phenyl]-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(4-cyanophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methanol is sourced from PubChem (CID 162170801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).