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

C125H119Cl2F9N10O11 — CID 167558901

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

N-[4-[2-chloro-4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[2-chloro-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-fluorophenyl]-2-fluorophenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-2-fluorophenyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[2-fluoro-4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide (PubChem CID 167558901) has the molecular formula C125H119Cl2F9N10O11 and a molecular weight of 2179.27 g/mol. Its IUPAC name is N-[4-[2-chloro-4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[2-chloro-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-fluorophenyl]-2-fluorophenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-2-fluorophenyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[2-fluoro-4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide.

Molecular Properties

• Compound Name: N-[4-[2-chloro-4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[2-chloro-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-fluorophenyl]-2-fluorophenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-2-fluorophenyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[2-fluoro-4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
• PubChem CID: 167558901
• Molecular Formula: C125H119Cl2F9N10O11
• Molecular Weight: 2179.27 g/mol
• Exact Mass: 2176.83
• IUPAC Name: N-[4-[2-chloro-4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[2-chloro-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-fluorophenyl]-2-fluorophenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-2-fluorophenyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[2-fluoro-4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
• SMILES: CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(C)nc3C)cc2F)cc1F.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3C)cc2F)cc1F.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3F)cc2F)cc1F.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3C)cc2Cl)cc1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3OC)cc2Cl)cc1
• InChI: InChI=1S/C26H26F2N2O2.C25H25ClN2O3.C25H25ClN2O2.C25H23F3N2O2.C24H20F4N2O2/c1-5-26(32)30(4)24-12-9-19(14-23(24)28)21-11-8-20(15-22(21)27)25(31)13-10-18-7-6-16(2)29-17(18)3;1-4-24(30)28(2)20-11-7-17(8-12-20)21-13-9-19(16-22(21)26)23(29)14-10-18-6-5-15-27-25(18)31-3;1-4-25(30)28(3)21-11-7-19(8-12-21)22-13-9-20(16-23(22)26)24(29)14-10-18-6-5-15-27-17(18)2;1-4-25(32)30(3)22-10-6-17(13-21(22)27)19-9-5-18(14-20(19)26)23(31)11-7-16-8-12-24(28)29-15(16)2;1-3-23(32)30(2)20-9-5-15(12-19(20)26)17-8-4-16(13-18(17)25)21(31)10-6-14-7-11-22(27)29-24(14)28/h6-9,11-12,14-15H,5,10,13H2,1-4H3;5-9,11-13,15-16H,4,10,14H2,1-3H3;5-9,11-13,15-16H,4,10,14H2,1-3H3;5-6,8-10,12-14H,4,7,11H2,1-3H3;4-5,7-9,11-13H,3,6,10H2,1-2H3
• InChIKey: DJMYYUBKLKDKDT-UHFFFAOYSA-N
• XLogP: 28.49
• TPSA: 260.58 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 36
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2179.27
LogP ≤ 5	28.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[4-[2-chloro-4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[2-chloro-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-fluorophenyl]-2-fluorophenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-2-fluorophenyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[2-fluoro-4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide (CID 167558901) is N-[4-[2-chloro-4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[2-chloro-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-fluorophenyl]-2-fluorophenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-2-fluorophenyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[2-fluoro-4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide.

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

The canonical SMILES for N-[4-[2-chloro-4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[2-chloro-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-fluorophenyl]-2-fluorophenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-2-fluorophenyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[2-fluoro-4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide is CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(C)nc3C)cc2F)cc1F.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3C)cc2F)cc1F.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3F)cc2F)cc1F.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3C)cc2Cl)cc1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3OC)cc2Cl)cc1.

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

The InChIKey is DJMYYUBKLKDKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N2O2.C25H25ClN2O3.C25H25ClN2O2.C25H23F3N2O2.C24H20F4N2O2/c1-5-26(32)30(4)24-12-9-19(14-23(24)28)21-11-8-20(15-22(21)27)25(31)13-10-18-7-6-16(2)29-17(18)3;1-4-24(30)28(2)20-11-7-17(8-12-20)21-13-9-19(16-22(21)26)23(29)14-10-18-6-5-15-27-25(18)31-3;1-4-25(30)28(3)21-11-7-19(8-12-21)22-13-9-20(16-23(22)26)24(29)14-10-18-6-5-15-27-17(18)2;1-4-25(32)30(3)22-10-6-17(13-21(22)27)19-9-5-18(14-20(19)26)23(31)11-7-16-8-12-24(28)29-15(16)2;1-3-23(32)30(2)20-9-5-15(12-19(20)26)17-8-4-16(13-18(17)25)21(31)10-6-14-7-11-22(27)29-24(14)28/h6-9,11-12,14-15H,5,10,13H2,1-4H3;5-9,11-13,15-16H,4,10,14H2,1-3H3;5-9,11-13,15-16H,4,10,14H2,1-3H3;5-6,8-10,12-14H,4,7,11H2,1-3H3;4-5,7-9,11-13H,3,6,10H2,1-2H3.

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

N-[4-[2-chloro-4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[2-chloro-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-fluorophenyl]-2-fluorophenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-2-fluorophenyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[2-fluoro-4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide has a molecular weight of 2179.27 g/mol, XLogP of 28.49, 36 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-chloro-4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[2-chloro-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-fluorophenyl]-2-fluorophenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-2-fluorophenyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[2-fluoro-4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide is sourced from PubChem (CID 167558901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).