N-[(2-chlorophenyl)methyl]-N-[3-(2,4-difluorophenoxy)-2-hydroxypropyl]-3-methylimidazole-4-carboxamide;N-(2-hydroxy-3-phenoxypropyl)-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C45H43ClF5N5O6 — CID 167604785

About N-[(2-chlorophenyl)methyl]-N-[3-(2,4-difluorophenoxy)-2-hydroxypropyl]-3-methylimidazole-4-carboxamide;N-(2-hydroxy-3-phenoxypropyl)-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[(2-chlorophenyl)methyl]-N-[3-(2,4-difluorophenoxy)-2-hydroxypropyl]-3-methylimidazole-4-carboxamide;N-(2-hydroxy-3-phenoxypropyl)-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 167604785) has the molecular formula C45H43ClF5N5O6 and a molecular weight of 880.31 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-[3-(2,4-difluorophenoxy)-2-hydroxypropyl]-3-methylimidazole-4-carboxamide;N-(2-hydroxy-3-phenoxypropyl)-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2-chlorophenyl)methyl]-N-[3-(2,4-difluorophenoxy)-2-hydroxypropyl]-3-methylimidazole-4-carboxamide;N-(2-hydroxy-3-phenoxypropyl)-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
• PubChem CID: 167604785
• Molecular Formula: C45H43ClF5N5O6
• Molecular Weight: 880.31 g/mol
• Exact Mass: 879.28
• IUPAC Name: N-[(2-chlorophenyl)methyl]-N-[3-(2,4-difluorophenoxy)-2-hydroxypropyl]-3-methylimidazole-4-carboxamide;N-(2-hydroxy-3-phenoxypropyl)-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
• SMILES: Cc1ccccc1CN(CC(O)COc1ccccc1)C(=O)c1ccc(C(F)(F)F)nc1.Cn1cncc1C(=O)N(Cc1ccccc1Cl)CC(O)COc1ccc(F)cc1F
• InChI: InChI=1S/C24H23F3N2O3.C21H20ClF2N3O3/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;1-26-13-25-9-19(26)21(29)27(10-14-4-2-3-5-17(14)22)11-16(28)12-30-20-7-6-15(23)8-18(20)24/h2-13,20,30H,14-16H2,1H3;2-9,13,16,28H,10-12H2,1H3
• InChIKey: KFRKTDJIXBXRFL-UHFFFAOYSA-N
• XLogP: 7.93
• TPSA: 130.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	880.31
LogP ≤ 5	7.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-[3-(2,4-difluorophenoxy)-2-hydroxypropyl]-3-methylimidazole-4-carboxamide;N-(2-hydroxy-3-phenoxypropyl)-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?

The IUPAC name of N-[(2-chlorophenyl)methyl]-N-[3-(2,4-difluorophenoxy)-2-hydroxypropyl]-3-methylimidazole-4-carboxamide;N-(2-hydroxy-3-phenoxypropyl)-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 167604785) is N-[(2-chlorophenyl)methyl]-N-[3-(2,4-difluorophenoxy)-2-hydroxypropyl]-3-methylimidazole-4-carboxamide;N-(2-hydroxy-3-phenoxypropyl)-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-[3-(2,4-difluorophenoxy)-2-hydroxypropyl]-3-methylimidazole-4-carboxamide;N-(2-hydroxy-3-phenoxypropyl)-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?

The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-[3-(2,4-difluorophenoxy)-2-hydroxypropyl]-3-methylimidazole-4-carboxamide;N-(2-hydroxy-3-phenoxypropyl)-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1ccccc1CN(CC(O)COc1ccccc1)C(=O)c1ccc(C(F)(F)F)nc1.Cn1cncc1C(=O)N(Cc1ccccc1Cl)CC(O)COc1ccc(F)cc1F.

What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-[3-(2,4-difluorophenoxy)-2-hydroxypropyl]-3-methylimidazole-4-carboxamide;N-(2-hydroxy-3-phenoxypropyl)-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?

The InChIKey is KFRKTDJIXBXRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O3.C21H20ClF2N3O3/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;1-26-13-25-9-19(26)21(29)27(10-14-4-2-3-5-17(14)22)11-16(28)12-30-20-7-6-15(23)8-18(20)24/h2-13,20,30H,14-16H2,1H3;2-9,13,16,28H,10-12H2,1H3.

What are the key properties of N-[(2-chlorophenyl)methyl]-N-[3-(2,4-difluorophenoxy)-2-hydroxypropyl]-3-methylimidazole-4-carboxamide;N-(2-hydroxy-3-phenoxypropyl)-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?

N-[(2-chlorophenyl)methyl]-N-[3-(2,4-difluorophenoxy)-2-hydroxypropyl]-3-methylimidazole-4-carboxamide;N-(2-hydroxy-3-phenoxypropyl)-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 880.31 g/mol, XLogP of 7.93, 16 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chlorophenyl)methyl]-N-[3-(2,4-difluorophenoxy)-2-hydroxypropyl]-3-methylimidazole-4-carboxamide;N-(2-hydroxy-3-phenoxypropyl)-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 167604785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).