1-(difluoromethoxy)-4-methylbenzene;N-[2-(2,6-difluoro-4-methoxyphenyl)butyl]-N-[4-methyl-2-oxo-1-(3,3,3-trifluoro-2-hydroxypropyl)-3-pyridinyl]formamide;N-methylformamide

C31H36F7N3O6 — CID 162437286

About 1-(difluoromethoxy)-4-methylbenzene;N-[2-(2,6-difluoro-4-methoxyphenyl)butyl]-N-[4-methyl-2-oxo-1-(3,3,3-trifluoro-2-hydroxypropyl)-3-pyridinyl]formamide;N-methylformamide

1-(difluoromethoxy)-4-methylbenzene;N-[2-(2,6-difluoro-4-methoxyphenyl)butyl]-N-[4-methyl-2-oxo-1-(3,3,3-trifluoro-2-hydroxypropyl)-3-pyridinyl]formamide;N-methylformamide (PubChem CID 162437286) has the molecular formula C31H36F7N3O6 and a molecular weight of 679.63 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4-methylbenzene;N-[2-(2,6-difluoro-4-methoxyphenyl)butyl]-N-[4-methyl-2-oxo-1-(3,3,3-trifluoro-2-hydroxypropyl)-3-pyridinyl]formamide;N-methylformamide.

Molecular Properties

• Compound Name: 1-(difluoromethoxy)-4-methylbenzene;N-[2-(2,6-difluoro-4-methoxyphenyl)butyl]-N-[4-methyl-2-oxo-1-(3,3,3-trifluoro-2-hydroxypropyl)-3-pyridinyl]formamide;N-methylformamide
• PubChem CID: 162437286
• Molecular Formula: C31H36F7N3O6
• Molecular Weight: 679.63 g/mol
• Exact Mass: 679.25
• IUPAC Name: 1-(difluoromethoxy)-4-methylbenzene;N-[2-(2,6-difluoro-4-methoxyphenyl)butyl]-N-[4-methyl-2-oxo-1-(3,3,3-trifluoro-2-hydroxypropyl)-3-pyridinyl]formamide;N-methylformamide
• SMILES: CCC(CN(C=O)c1c(C)ccn(CC(O)C(F)(F)F)c1=O)c1c(F)cc(OC)cc1F.CNC=O.Cc1ccc(OC(F)F)cc1
• InChI: InChI=1S/C21H23F5N2O4.C8H8F2O.C2H5NO/c1-4-13(18-15(22)7-14(32-3)8-16(18)23)9-28(11-29)19-12(2)5-6-27(20(19)31)10-17(30)21(24,25)26;1-6-2-4-7(5-3-6)11-8(9)10;1-3-2-4/h5-8,11,13,17,30H,4,9-10H2,1-3H3;2-5,8H,1H3;2H,1H3,(H,3,4)
• InChIKey: FNCZUFNJWFGGOK-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 110.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	679.63
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-4-methylbenzene;N-[2-(2,6-difluoro-4-methoxyphenyl)butyl]-N-[4-methyl-2-oxo-1-(3,3,3-trifluoro-2-hydroxypropyl)-3-pyridinyl]formamide;N-methylformamide?

The IUPAC name of 1-(difluoromethoxy)-4-methylbenzene;N-[2-(2,6-difluoro-4-methoxyphenyl)butyl]-N-[4-methyl-2-oxo-1-(3,3,3-trifluoro-2-hydroxypropyl)-3-pyridinyl]formamide;N-methylformamide (CID 162437286) is 1-(difluoromethoxy)-4-methylbenzene;N-[2-(2,6-difluoro-4-methoxyphenyl)butyl]-N-[4-methyl-2-oxo-1-(3,3,3-trifluoro-2-hydroxypropyl)-3-pyridinyl]formamide;N-methylformamide.

What is the SMILES notation for 1-(difluoromethoxy)-4-methylbenzene;N-[2-(2,6-difluoro-4-methoxyphenyl)butyl]-N-[4-methyl-2-oxo-1-(3,3,3-trifluoro-2-hydroxypropyl)-3-pyridinyl]formamide;N-methylformamide?

The canonical SMILES for 1-(difluoromethoxy)-4-methylbenzene;N-[2-(2,6-difluoro-4-methoxyphenyl)butyl]-N-[4-methyl-2-oxo-1-(3,3,3-trifluoro-2-hydroxypropyl)-3-pyridinyl]formamide;N-methylformamide is CCC(CN(C=O)c1c(C)ccn(CC(O)C(F)(F)F)c1=O)c1c(F)cc(OC)cc1F.CNC=O.Cc1ccc(OC(F)F)cc1.

What is the InChIKey of 1-(difluoromethoxy)-4-methylbenzene;N-[2-(2,6-difluoro-4-methoxyphenyl)butyl]-N-[4-methyl-2-oxo-1-(3,3,3-trifluoro-2-hydroxypropyl)-3-pyridinyl]formamide;N-methylformamide?

The InChIKey is FNCZUFNJWFGGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F5N2O4.C8H8F2O.C2H5NO/c1-4-13(18-15(22)7-14(32-3)8-16(18)23)9-28(11-29)19-12(2)5-6-27(20(19)31)10-17(30)21(24,25)26;1-6-2-4-7(5-3-6)11-8(9)10;1-3-2-4/h5-8,11,13,17,30H,4,9-10H2,1-3H3;2-5,8H,1H3;2H,1H3,(H,3,4).

What are the key properties of 1-(difluoromethoxy)-4-methylbenzene;N-[2-(2,6-difluoro-4-methoxyphenyl)butyl]-N-[4-methyl-2-oxo-1-(3,3,3-trifluoro-2-hydroxypropyl)-3-pyridinyl]formamide;N-methylformamide?

1-(difluoromethoxy)-4-methylbenzene;N-[2-(2,6-difluoro-4-methoxyphenyl)butyl]-N-[4-methyl-2-oxo-1-(3,3,3-trifluoro-2-hydroxypropyl)-3-pyridinyl]formamide;N-methylformamide has a molecular weight of 679.63 g/mol, XLogP of 5.48, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(difluoromethoxy)-4-methylbenzene;N-[2-(2,6-difluoro-4-methoxyphenyl)butyl]-N-[4-methyl-2-oxo-1-(3,3,3-trifluoro-2-hydroxypropyl)-3-pyridinyl]formamide;N-methylformamide is sourced from PubChem (CID 162437286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).