4-fluoro-N-[2-[4-[[4-(1-methoxyethenyl)cyclohexyl]methoxy]phenyl]-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide;1-[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-3-[3-[1-[methoxy(methyl)amino]ethenyl]cyclobutyl]urea;1-[2-[4-[[4-(1-methoxyethenyl)cyclohexyl]methoxy]phenyl]-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]-3-(2,2,2-trifluoroethyl)urea

C106H101F25N6O13 — CID 159016608

About 4-fluoro-N-[2-[4-[[4-(1-methoxyethenyl)cyclohexyl]methoxy]phenyl]-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide;1-[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-3-[3-[1-[methoxy(methyl)amino]ethenyl]cyclobutyl]urea;1-[2-[4-[[4-(1-methoxyethenyl)cyclohexyl]methoxy]phenyl]-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]-3-(2,2,2-trifluoroethyl)urea

4-fluoro-N-[2-[4-[[4-(1-methoxyethenyl)cyclohexyl]methoxy]phenyl]-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide;1-[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-3-[3-[1-[methoxy(methyl)amino]ethenyl]cyclobutyl]urea;1-[2-[4-[[4-(1-methoxyethenyl)cyclohexyl]methoxy]phenyl]-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 159016608) has the molecular formula C106H101F25N6O13 and a molecular weight of 2141.95 g/mol. Its IUPAC name is 4-fluoro-N-[2-[4-[[4-(1-methoxyethenyl)cyclohexyl]methoxy]phenyl]-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide;1-[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-3-[3-[1-[methoxy(methyl)amino]ethenyl]cyclobutyl]urea;1-[2-[4-[[4-(1-methoxyethenyl)cyclohexyl]methoxy]phenyl]-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

• Compound Name: 4-fluoro-N-[2-[4-[[4-(1-methoxyethenyl)cyclohexyl]methoxy]phenyl]-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide;1-[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-3-[3-[1-[methoxy(methyl)amino]ethenyl]cyclobutyl]urea;1-[2-[4-[[4-(1-methoxyethenyl)cyclohexyl]methoxy]phenyl]-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]-3-(2,2,2-trifluoroethyl)urea
• PubChem CID: 159016608
• Molecular Formula: C106H101F25N6O13
• Molecular Weight: 2141.95 g/mol
• Exact Mass: 2140.70
• IUPAC Name: 4-fluoro-N-[2-[4-[[4-(1-methoxyethenyl)cyclohexyl]methoxy]phenyl]-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide;1-[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-3-[3-[1-[methoxy(methyl)amino]ethenyl]cyclobutyl]urea;1-[2-[4-[[4-(1-methoxyethenyl)cyclohexyl]methoxy]phenyl]-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]-3-(2,2,2-trifluoroethyl)urea
• SMILES: C=C(C1CC(NC(=O)N[C@](Cc2ccccc2)(c2ccc(F)cc2)c2cc(F)cc(OC(F)(F)C(F)F)c2)C1)N(C)OC.C=C(OC)C1CCC(COc2ccc(CC(NC(=O)NCC(F)(F)F)(c3cccc(OC(F)(F)F)c3)c3cccc(OC(F)(F)F)c3)cc2)CC1.C=C(OC)C1CCC(COc2ccc(CC(NC(=O)c3ccc(F)c(C(F)(F)F)c3)(c3cccc(OC(F)(F)F)c3)c3cccc(OC(F)(F)F)c3)cc2)CC1
• InChI: InChI=1S/C40H35F10NO5.C35H35F9N2O5.C31H31F6N3O3/c1-24(53-2)27-13-9-26(10-14-27)23-54-31-16-11-25(12-17-31)22-37(29-5-3-7-32(20-29)55-39(45,46)47,30-6-4-8-33(21-30)56-40(48,49)50)51-36(52)28-15-18-35(41)34(19-28)38(42,43)44;1-22(48-2)25-13-9-24(10-14-25)20-49-28-15-11-23(12-16-28)19-32(46-31(47)45-21-33(36,37)38,26-5-3-7-29(17-26)50-34(39,40)41)27-6-4-8-30(18-27)51-35(42,43)44;1-19(40(2)42-3)21-13-26(14-21)38-29(41)39-30(18-20-7-5-4-6-8-20,22-9-11-24(32)12-10-22)23-15-25(33)17-27(16-23)43-31(36,37)28(34)35/h3-8,11-12,15-21,26-27H,1,9-10,13-14,22-23H2,2H3,(H,51,52);3-8,11-12,15-18,24-25H,1,9-10,13-14,19-21H2,2H3,(H2,45,46,47);4-12,15-17,21,26,28H,1,13-14,18H2,2-3H3,(H2,38,39,41)/t;;21?,26?,30-/m..1/s1
• InChIKey: JTEBHXIVTCLFQP-ARGQSBMOSA-N
• XLogP: 26.85
• TPSA: 206.90 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 38
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2141.95
LogP ≤ 5	26.85
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[4-[[4-(1-methoxyethenyl)cyclohexyl]methoxy]phenyl]-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide;1-[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-3-[3-[1-[methoxy(methyl)amino]ethenyl]cyclobutyl]urea;1-[2-[4-[[4-(1-methoxyethenyl)cyclohexyl]methoxy]phenyl]-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]-3-(2,2,2-trifluoroethyl)urea?

The IUPAC name of 4-fluoro-N-[2-[4-[[4-(1-methoxyethenyl)cyclohexyl]methoxy]phenyl]-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide;1-[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-3-[3-[1-[methoxy(methyl)amino]ethenyl]cyclobutyl]urea;1-[2-[4-[[4-(1-methoxyethenyl)cyclohexyl]methoxy]phenyl]-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]-3-(2,2,2-trifluoroethyl)urea (CID 159016608) is 4-fluoro-N-[2-[4-[[4-(1-methoxyethenyl)cyclohexyl]methoxy]phenyl]-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide;1-[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-3-[3-[1-[methoxy(methyl)amino]ethenyl]cyclobutyl]urea;1-[2-[4-[[4-(1-methoxyethenyl)cyclohexyl]methoxy]phenyl]-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]-3-(2,2,2-trifluoroethyl)urea.

What is the SMILES notation for 4-fluoro-N-[2-[4-[[4-(1-methoxyethenyl)cyclohexyl]methoxy]phenyl]-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide;1-[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-3-[3-[1-[methoxy(methyl)amino]ethenyl]cyclobutyl]urea;1-[2-[4-[[4-(1-methoxyethenyl)cyclohexyl]methoxy]phenyl]-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]-3-(2,2,2-trifluoroethyl)urea?

The canonical SMILES for 4-fluoro-N-[2-[4-[[4-(1-methoxyethenyl)cyclohexyl]methoxy]phenyl]-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide;1-[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-3-[3-[1-[methoxy(methyl)amino]ethenyl]cyclobutyl]urea;1-[2-[4-[[4-(1-methoxyethenyl)cyclohexyl]methoxy]phenyl]-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]-3-(2,2,2-trifluoroethyl)urea is C=C(C1CC(NC(=O)N[C@](Cc2ccccc2)(c2ccc(F)cc2)c2cc(F)cc(OC(F)(F)C(F)F)c2)C1)N(C)OC.C=C(OC)C1CCC(COc2ccc(CC(NC(=O)NCC(F)(F)F)(c3cccc(OC(F)(F)F)c3)c3cccc(OC(F)(F)F)c3)cc2)CC1.C=C(OC)C1CCC(COc2ccc(CC(NC(=O)c3ccc(F)c(C(F)(F)F)c3)(c3cccc(OC(F)(F)F)c3)c3cccc(OC(F)(F)F)c3)cc2)CC1.

What is the InChIKey of 4-fluoro-N-[2-[4-[[4-(1-methoxyethenyl)cyclohexyl]methoxy]phenyl]-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide;1-[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-3-[3-[1-[methoxy(methyl)amino]ethenyl]cyclobutyl]urea;1-[2-[4-[[4-(1-methoxyethenyl)cyclohexyl]methoxy]phenyl]-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]-3-(2,2,2-trifluoroethyl)urea?

The InChIKey is JTEBHXIVTCLFQP-ARGQSBMOSA-N. The full InChI is InChI=1S/C40H35F10NO5.C35H35F9N2O5.C31H31F6N3O3/c1-24(53-2)27-13-9-26(10-14-27)23-54-31-16-11-25(12-17-31)22-37(29-5-3-7-32(20-29)55-39(45,46)47,30-6-4-8-33(21-30)56-40(48,49)50)51-36(52)28-15-18-35(41)34(19-28)38(42,43)44;1-22(48-2)25-13-9-24(10-14-25)20-49-28-15-11-23(12-16-28)19-32(46-31(47)45-21-33(36,37)38,26-5-3-7-29(17-26)50-34(39,40)41)27-6-4-8-30(18-27)51-35(42,43)44;1-19(40(2)42-3)21-13-26(14-21)38-29(41)39-30(18-20-7-5-4-6-8-20,22-9-11-24(32)12-10-22)23-15-25(33)17-27(16-23)43-31(36,37)28(34)35/h3-8,11-12,15-21,26-27H,1,9-10,13-14,22-23H2,2H3,(H,51,52);3-8,11-12,15-18,24-25H,1,9-10,13-14,19-21H2,2H3,(H2,45,46,47);4-12,15-17,21,26,28H,1,13-14,18H2,2-3H3,(H2,38,39,41)/t;;21?,26?,30-/m..1/s1.

What are the key properties of 4-fluoro-N-[2-[4-[[4-(1-methoxyethenyl)cyclohexyl]methoxy]phenyl]-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide;1-[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-3-[3-[1-[methoxy(methyl)amino]ethenyl]cyclobutyl]urea;1-[2-[4-[[4-(1-methoxyethenyl)cyclohexyl]methoxy]phenyl]-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]-3-(2,2,2-trifluoroethyl)urea?

4-fluoro-N-[2-[4-[[4-(1-methoxyethenyl)cyclohexyl]methoxy]phenyl]-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide;1-[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-3-[3-[1-[methoxy(methyl)amino]ethenyl]cyclobutyl]urea;1-[2-[4-[[4-(1-methoxyethenyl)cyclohexyl]methoxy]phenyl]-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 2141.95 g/mol, XLogP of 26.85, 38 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-[2-[4-[[4-(1-methoxyethenyl)cyclohexyl]methoxy]phenyl]-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide;1-[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-3-[3-[1-[methoxy(methyl)amino]ethenyl]cyclobutyl]urea;1-[2-[4-[[4-(1-methoxyethenyl)cyclohexyl]methoxy]phenyl]-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 159016608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).