N-[3-(2,4-difluorophenoxy)-2-hydroxypropyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-(2-hydroxy-3-phenoxypropyl)-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide;1-(3-pyridin-3-ylquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-one;3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]quinoline

C94H82F11N9O9 — CID 167695714

IUPACN-[3-(2,4-difluorophenoxy)-2-hydroxypropyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-(2-hydroxy-3-phenoxypropyl)-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide;1-(3-pyridin-3-ylquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-one;3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]quinoline
SMILESCc1ccccc1CN(CC(O)COc1ccc(F)cc1F)C(=O)c1cncn1C.Cc1ccccc1CN(CC(O)COc1ccccc1)C(=O)c1ccc(C(F)(F)F)nc1.FC(F)(F)c1ccc(OCCCc2nc3ccccc3cc2-c2cccnc2)cc1.O=C(COc1ccc(C(F)(F)F)cc1)Cc1nc2ccccc2cc1-c1cccnc1
InChIInChI=1S/C24H23F3N2O3.C24H17F3N2O2.C24H19F3N2O.C22H23F2N3O3/c1-17-7-5-6-8-19(17)14-29(15-20(30)16-32-21-9-3-2-4-10-21)23(31)18-11-12-22(28-13-18)24(25,26)27;25-24(26,27)18-7-9-20(10-8-18)31-15-19(30)13-23-21(17-5-3-11-28-14-17)12-16-4-1-2-6-22(16)29-23;25-24(26,27)19-9-11-20(12-10-19)30-14-4-8-23-21(18-6-3-13-28-16-18)15-17-5-1-2-7-22(17)29-23;1-15-5-3-4-6-16(15)11-27(22(29)20-10-25-14-26(20)2)12-18(28)13-30-21-8-7-17(23)9-19(21)24/h2-13,20,30H,14-16H2,1H3;1-12,14H,13,15H2;1-3,5-7,9-13,15-16H,4,8,14H2;3-10,14,18,28H,11-13H2,1-2H3
InChIKeyXPYSHRKPDGXZRF-UHFFFAOYSA-N
MW1690.72 g/mol
LogP19.41
Rot. Bonds28

About N-[3-(2,4-difluorophenoxy)-2-hydroxypropyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-(2-hydroxy-3-phenoxypropyl)-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide;1-(3-pyridin-3-ylquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-one;3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]quinoline

N-[3-(2,4-difluorophenoxy)-2-hydroxypropyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-(2-hydroxy-3-phenoxypropyl)-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide;1-(3-pyridin-3-ylquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-one;3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]quinoline (PubChem CID 167695714) has the molecular formula C94H82F11N9O9 and a molecular weight of 1690.72 g/mol. Its IUPAC name is N-[3-(2,4-difluorophenoxy)-2-hydroxypropyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-(2-hydroxy-3-phenoxypropyl)-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide;1-(3-pyridin-3-ylquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-one;3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]quinoline.

Molecular Properties

Compound NameN-[3-(2,4-difluorophenoxy)-2-hydroxypropyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-(2-hydroxy-3-phenoxypropyl)-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide;1-(3-pyridin-3-ylquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-one;3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]quinoline
PubChem CID167695714
Molecular FormulaC94H82F11N9O9
Molecular Weight1690.72 g/mol
Exact Mass1689.61
IUPAC NameN-[3-(2,4-difluorophenoxy)-2-hydroxypropyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-(2-hydroxy-3-phenoxypropyl)-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide;1-(3-pyridin-3-ylquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-one;3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]quinoline
SMILESCc1ccccc1CN(CC(O)COc1ccc(F)cc1F)C(=O)c1cncn1C.Cc1ccccc1CN(CC(O)COc1ccccc1)C(=O)c1ccc(C(F)(F)F)nc1.FC(F)(F)c1ccc(OCCCc2nc3ccccc3cc2-c2cccnc2)cc1.O=C(COc1ccc(C(F)(F)F)cc1)Cc1nc2ccccc2cc1-c1cccnc1
InChIInChI=1S/C24H23F3N2O3.C24H17F3N2O2.C24H19F3N2O.C22H23F2N3O3/c1-17-7-5-6-8-19(17)14-29(15-20(30)16-32-21-9-3-2-4-10-21)23(31)18-11-12-22(28-13-18)24(25,26)27;25-24(26,27)18-7-9-20(10-8-18)31-15-19(30)13-23-21(17-5-3-11-28-14-17)12-16-4-1-2-6-22(16)29-23;25-24(26,27)19-9-11-20(12-10-19)30-14-4-8-23-21(18-6-3-13-28-16-18)15-17-5-1-2-7-22(17)29-23;1-15-5-3-4-6-16(15)11-27(22(29)20-10-25-14-26(20)2)12-18(28)13-30-21-8-7-17(23)9-19(21)24/h2-13,20,30H,14-16H2,1H3;1-12,14H,13,15H2;1-3,5-7,9-13,15-16H,4,8,14H2;3-10,14,18,28H,11-13H2,1-2H3
InChIKeyXPYSHRKPDGXZRF-UHFFFAOYSA-N
XLogP19.41
TPSA217.34 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds28
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001690.72
LogP ≤ 519.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze N-[3-(2,4-difluorophenoxy)-2-hydroxypropyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-(2-hydroxy-3-phenoxypropyl)-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide;1-(3-pyridin-3-ylquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-one;3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-difluorophenoxy)-2-hydroxypropyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-(2-hydroxy-3-phenoxypropyl)-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide;1-(3-pyridin-3-ylquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-one;3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]quinoline?
The IUPAC name of N-[3-(2,4-difluorophenoxy)-2-hydroxypropyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-(2-hydroxy-3-phenoxypropyl)-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide;1-(3-pyridin-3-ylquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-one;3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]quinoline (CID 167695714) is N-[3-(2,4-difluorophenoxy)-2-hydroxypropyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-(2-hydroxy-3-phenoxypropyl)-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide;1-(3-pyridin-3-ylquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-one;3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]quinoline.
What is the SMILES notation for N-[3-(2,4-difluorophenoxy)-2-hydroxypropyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-(2-hydroxy-3-phenoxypropyl)-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide;1-(3-pyridin-3-ylquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-one;3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]quinoline?
The canonical SMILES for N-[3-(2,4-difluorophenoxy)-2-hydroxypropyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-(2-hydroxy-3-phenoxypropyl)-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide;1-(3-pyridin-3-ylquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-one;3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]quinoline is Cc1ccccc1CN(CC(O)COc1ccc(F)cc1F)C(=O)c1cncn1C.Cc1ccccc1CN(CC(O)COc1ccccc1)C(=O)c1ccc(C(F)(F)F)nc1.FC(F)(F)c1ccc(OCCCc2nc3ccccc3cc2-c2cccnc2)cc1.O=C(COc1ccc(C(F)(F)F)cc1)Cc1nc2ccccc2cc1-c1cccnc1.
What is the InChIKey of N-[3-(2,4-difluorophenoxy)-2-hydroxypropyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-(2-hydroxy-3-phenoxypropyl)-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide;1-(3-pyridin-3-ylquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-one;3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]quinoline?
The InChIKey is XPYSHRKPDGXZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O3.C24H17F3N2O2.C24H19F3N2O.C22H23F2N3O3/c1-17-7-5-6-8-19(17)14-29(15-20(30)16-32-21-9-3-2-4-10-21)23(31)18-11-12-22(28-13-18)24(25,26)27;25-24(26,27)18-7-9-20(10-8-18)31-15-19(30)13-23-21(17-5-3-11-28-14-17)12-16-4-1-2-6-22(16)29-23;25-24(26,27)19-9-11-20(12-10-19)30-14-4-8-23-21(18-6-3-13-28-16-18)15-17-5-1-2-7-22(17)29-23;1-15-5-3-4-6-16(15)11-27(22(29)20-10-25-14-26(20)2)12-18(28)13-30-21-8-7-17(23)9-19(21)24/h2-13,20,30H,14-16H2,1H3;1-12,14H,13,15H2;1-3,5-7,9-13,15-16H,4,8,14H2;3-10,14,18,28H,11-13H2,1-2H3.
What are the key properties of N-[3-(2,4-difluorophenoxy)-2-hydroxypropyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-(2-hydroxy-3-phenoxypropyl)-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide;1-(3-pyridin-3-ylquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-one;3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]quinoline?
N-[3-(2,4-difluorophenoxy)-2-hydroxypropyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-(2-hydroxy-3-phenoxypropyl)-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide;1-(3-pyridin-3-ylquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-one;3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]quinoline has a molecular weight of 1690.72 g/mol, XLogP of 19.41, 28 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-difluorophenoxy)-2-hydroxypropyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-(2-hydroxy-3-phenoxypropyl)-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide;1-(3-pyridin-3-ylquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-one;3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]quinoline is sourced from PubChem (CID 167695714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).