N,N-dibenzyl-3-[4-(trifluoromethyl)phenoxy]propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol

C113H120F15N13O10 — CID 167697673

IUPACN,N-dibenzyl-3-[4-(trifluoromethyl)phenoxy]propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCc1ccccc1CN(Cc1ccn[nH]1)CC(O)COc1ccc(C(F)(F)F)cc1.Cc1ccccc1CN(Cc1cnc[nH]1)CC(O)COc1ccc(C(F)(F)F)cc1.Cc1ccccc1CN(Cc1cnn(C)c1)CC(O)COc1ccc(C(F)(F)F)cc1.Cc1ccccc1CN(Cc1ncc[nH]1)CC(O)COc1ccc(C(F)(F)F)cc1.O=C(CCOc1ccc(C(F)(F)F)cc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H22F3NO2.C23H26F3N3O2.3C22H24F3N3O2/c25-24(26,27)21-11-13-22(14-12-21)30-16-15-23(29)28(17-19-7-3-1-4-8-19)18-20-9-5-2-6-10-20;1-17-5-3-4-6-19(17)14-29(13-18-11-27-28(2)12-18)15-21(30)16-31-22-9-7-20(8-10-22)23(24,25)26;1-16-4-2-3-5-17(16)11-28(12-19-10-26-15-27-19)13-20(29)14-30-21-8-6-18(7-9-21)22(23,24)25;1-16-4-2-3-5-17(16)12-28(14-21-26-10-11-27-21)13-19(29)15-30-20-8-6-18(7-9-20)22(23,24)25;1-16-4-2-3-5-17(16)12-28(13-19-10-11-26-27-19)14-20(29)15-30-21-8-6-18(7-9-21)22(23,24)25/h1-14H,15-18H2;3-12,21,30H,13-16H2,1-2H3;2-10,15,20,29H,11-14H2,1H3,(H,26,27);2-11,19,29H,12-15H2,1H3,(H,26,27);2-11,20,29H,12-15H2,1H3,(H,26,27)
InChIKeyXXFGENSBOLAYEJ-UHFFFAOYSA-N
MW2105.25 g/mol
LogP22.43
Rot. Bonds44

About N,N-dibenzyl-3-[4-(trifluoromethyl)phenoxy]propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol

N,N-dibenzyl-3-[4-(trifluoromethyl)phenoxy]propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (PubChem CID 167697673) has the molecular formula C113H120F15N13O10 and a molecular weight of 2105.25 g/mol. Its IUPAC name is N,N-dibenzyl-3-[4-(trifluoromethyl)phenoxy]propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound NameN,N-dibenzyl-3-[4-(trifluoromethyl)phenoxy]propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
PubChem CID167697673
Molecular FormulaC113H120F15N13O10
Molecular Weight2105.25 g/mol
Exact Mass2103.90
IUPAC NameN,N-dibenzyl-3-[4-(trifluoromethyl)phenoxy]propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCc1ccccc1CN(Cc1ccn[nH]1)CC(O)COc1ccc(C(F)(F)F)cc1.Cc1ccccc1CN(Cc1cnc[nH]1)CC(O)COc1ccc(C(F)(F)F)cc1.Cc1ccccc1CN(Cc1cnn(C)c1)CC(O)COc1ccc(C(F)(F)F)cc1.Cc1ccccc1CN(Cc1ncc[nH]1)CC(O)COc1ccc(C(F)(F)F)cc1.O=C(CCOc1ccc(C(F)(F)F)cc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H22F3NO2.C23H26F3N3O2.3C22H24F3N3O2/c25-24(26,27)21-11-13-22(14-12-21)30-16-15-23(29)28(17-19-7-3-1-4-8-19)18-20-9-5-2-6-10-20;1-17-5-3-4-6-19(17)14-29(13-18-11-27-28(2)12-18)15-21(30)16-31-22-9-7-20(8-10-22)23(24,25)26;1-16-4-2-3-5-17(16)11-28(12-19-10-26-15-27-19)13-20(29)14-30-21-8-6-18(7-9-21)22(23,24)25;1-16-4-2-3-5-17(16)12-28(14-21-26-10-11-27-21)13-19(29)15-30-20-8-6-18(7-9-20)22(23,24)25;1-16-4-2-3-5-17(16)12-28(13-19-10-11-26-27-19)14-20(29)15-30-21-8-6-18(7-9-21)22(23,24)25/h1-14H,15-18H2;3-12,21,30H,13-16H2,1-2H3;2-10,15,20,29H,11-14H2,1H3,(H,26,27);2-11,19,29H,12-15H2,1H3,(H,26,27);2-11,20,29H,12-15H2,1H3,(H,26,27)
InChIKeyXXFGENSBOLAYEJ-UHFFFAOYSA-N
XLogP22.43
TPSA264.20 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds44
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002105.25
LogP ≤ 522.43
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Analyze N,N-dibenzyl-3-[4-(trifluoromethyl)phenoxy]propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol with MolForge

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Related Compounds

N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(4-phenyl-1H-pyrrol-3-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 167562959
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]pyrazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]pyrrole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]cyclopenta-1,4-diene-1-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-3H-pyrrole-4-carboxamide
CID 167642831
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-3H-pyrrole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-3H-pyrrole-5-carboxamide
CID 167642999
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-5-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrrole-3-carboxamide;1-[(1-methylimidazol-2-yl)methyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(5-methyl-3H-pyrrol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 167667412
1-[bis[(4-methyl-3-pyridinyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(dibenzylamino)-3-(4-methylphenoxy)propan-2-one;N,N-dibenzyl-3-(4-methylphenoxy)propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]propan-2-ol
CID 167557743
N,N-dibenzyl-3-(4-methylphenoxy)propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]propan-2-ol
CID 167674092

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-3-[4-(trifluoromethyl)phenoxy]propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The IUPAC name of N,N-dibenzyl-3-[4-(trifluoromethyl)phenoxy]propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (CID 167697673) is N,N-dibenzyl-3-[4-(trifluoromethyl)phenoxy]propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.
What is the SMILES notation for N,N-dibenzyl-3-[4-(trifluoromethyl)phenoxy]propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The canonical SMILES for N,N-dibenzyl-3-[4-(trifluoromethyl)phenoxy]propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is Cc1ccccc1CN(Cc1ccn[nH]1)CC(O)COc1ccc(C(F)(F)F)cc1.Cc1ccccc1CN(Cc1cnc[nH]1)CC(O)COc1ccc(C(F)(F)F)cc1.Cc1ccccc1CN(Cc1cnn(C)c1)CC(O)COc1ccc(C(F)(F)F)cc1.Cc1ccccc1CN(Cc1ncc[nH]1)CC(O)COc1ccc(C(F)(F)F)cc1.O=C(CCOc1ccc(C(F)(F)F)cc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-3-[4-(trifluoromethyl)phenoxy]propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The InChIKey is XXFGENSBOLAYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3NO2.C23H26F3N3O2.3C22H24F3N3O2/c25-24(26,27)21-11-13-22(14-12-21)30-16-15-23(29)28(17-19-7-3-1-4-8-19)18-20-9-5-2-6-10-20;1-17-5-3-4-6-19(17)14-29(13-18-11-27-28(2)12-18)15-21(30)16-31-22-9-7-20(8-10-22)23(24,25)26;1-16-4-2-3-5-17(16)11-28(12-19-10-26-15-27-19)13-20(29)14-30-21-8-6-18(7-9-21)22(23,24)25;1-16-4-2-3-5-17(16)12-28(14-21-26-10-11-27-21)13-19(29)15-30-20-8-6-18(7-9-20)22(23,24)25;1-16-4-2-3-5-17(16)12-28(13-19-10-11-26-27-19)14-20(29)15-30-21-8-6-18(7-9-21)22(23,24)25/h1-14H,15-18H2;3-12,21,30H,13-16H2,1-2H3;2-10,15,20,29H,11-14H2,1H3,(H,26,27);2-11,19,29H,12-15H2,1H3,(H,26,27);2-11,20,29H,12-15H2,1H3,(H,26,27).
What are the key properties of N,N-dibenzyl-3-[4-(trifluoromethyl)phenoxy]propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
N,N-dibenzyl-3-[4-(trifluoromethyl)phenoxy]propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol has a molecular weight of 2105.25 g/mol, XLogP of 22.43, 44 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-3-[4-(trifluoromethyl)phenoxy]propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 167697673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).