N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methylphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-3-methylphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[4-[3-fluoro-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide

C103H103F7N8O8 — CID 167656944

About N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methylphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-3-methylphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[4-[3-fluoro-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide

N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methylphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-3-methylphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[4-[3-fluoro-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide (PubChem CID 167656944) has the molecular formula C103H103F7N8O8 and a molecular weight of 1713.99 g/mol. Its IUPAC name is N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methylphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-3-methylphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[4-[3-fluoro-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide.

Molecular Properties

• Compound Name: N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methylphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-3-methylphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[4-[3-fluoro-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
• PubChem CID: 167656944
• Molecular Formula: C103H103F7N8O8
• Molecular Weight: 1713.99 g/mol
• Exact Mass: 1712.78
• IUPAC Name: N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methylphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-3-methylphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[4-[3-fluoro-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
• SMILES: CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(C)nc3C)c(C)c2)cc1F.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3C)c(C)c2)cc1F.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3F)c(C)c2)cc1F.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3C)c(F)c2)cc1
• InChI: InChI=1S/C27H29FN2O2.C26H26F2N2O2.C25H23F3N2O2.C25H25FN2O2/c1-6-27(32)30(5)25-13-10-22(16-24(25)28)21-9-12-23(17(2)15-21)26(31)14-11-20-8-7-18(3)29-19(20)4;1-5-26(32)30(4)23-11-7-20(15-22(23)27)19-6-10-21(16(2)14-19)24(31)12-8-18-9-13-25(28)29-17(18)3;1-4-24(32)30(3)21-10-6-18(14-20(21)26)17-5-9-19(15(2)13-17)22(31)11-7-16-8-12-23(27)29-25(16)28;1-4-25(30)28(3)21-11-7-19(8-12-21)20-9-13-22(23(26)16-20)24(29)14-10-18-6-5-15-27-17(18)2/h7-10,12-13,15-16H,6,11,14H2,1-5H3;6-7,9-11,13-15H,5,8,12H2,1-4H3;5-6,8-10,12-14H,4,7,11H2,1-3H3;5-9,11-13,15-16H,4,10,14H2,1-3H3
• InChIKey: RJYYQDXFTBXQKS-UHFFFAOYSA-N
• XLogP: 22.88
• TPSA: 201.08 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 28
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1713.99
LogP ≤ 5	22.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methylphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-3-methylphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[4-[3-fluoro-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide?

The IUPAC name of N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methylphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-3-methylphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[4-[3-fluoro-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide (CID 167656944) is N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methylphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-3-methylphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[4-[3-fluoro-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide.

What is the SMILES notation for N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methylphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-3-methylphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[4-[3-fluoro-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide?

The canonical SMILES for N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methylphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-3-methylphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[4-[3-fluoro-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide is CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(C)nc3C)c(C)c2)cc1F.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3C)c(C)c2)cc1F.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3F)c(C)c2)cc1F.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3C)c(F)c2)cc1.

What is the InChIKey of N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methylphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-3-methylphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[4-[3-fluoro-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide?

The InChIKey is RJYYQDXFTBXQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2O2.C26H26F2N2O2.C25H23F3N2O2.C25H25FN2O2/c1-6-27(32)30(5)25-13-10-22(16-24(25)28)21-9-12-23(17(2)15-21)26(31)14-11-20-8-7-18(3)29-19(20)4;1-5-26(32)30(4)23-11-7-20(15-22(23)27)19-6-10-21(16(2)14-19)24(31)12-8-18-9-13-25(28)29-17(18)3;1-4-24(32)30(3)21-10-6-18(14-20(21)26)17-5-9-19(15(2)13-17)22(31)11-7-16-8-12-23(27)29-25(16)28;1-4-25(30)28(3)21-11-7-19(8-12-21)20-9-13-22(23(26)16-20)24(29)14-10-18-6-5-15-27-17(18)2/h7-10,12-13,15-16H,6,11,14H2,1-5H3;6-7,9-11,13-15H,5,8,12H2,1-4H3;5-6,8-10,12-14H,4,7,11H2,1-3H3;5-9,11-13,15-16H,4,10,14H2,1-3H3.

What are the key properties of N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methylphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-3-methylphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[4-[3-fluoro-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide?

N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methylphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-3-methylphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[4-[3-fluoro-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide has a molecular weight of 1713.99 g/mol, XLogP of 22.88, 28 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methylphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-3-methylphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[4-[3-fluoro-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide is sourced from PubChem (CID 167656944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).