2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-chloro-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide;N,2-dimethylpropanamide

C30H31ClF7N3O2 — CID 174497091

About 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-chloro-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide;N,2-dimethylpropanamide

2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-chloro-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide;N,2-dimethylpropanamide (PubChem CID 174497091) has the molecular formula C30H31ClF7N3O2 and a molecular weight of 634.04 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-chloro-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide;N,2-dimethylpropanamide.

Molecular Properties

• Compound Name: 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-chloro-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide;N,2-dimethylpropanamide
• PubChem CID: 174497091
• Molecular Formula: C30H31ClF7N3O2
• Molecular Weight: 634.04 g/mol
• Exact Mass: 633.20
• IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-chloro-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide;N,2-dimethylpropanamide
• SMILES: CNC(=O)C(C)C.Cc1cc(F)ccc1-c1cc(Cl)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
• InChI: InChI=1S/C25H20ClF7N2O.C5H11NO/c1-13-7-17(27)5-6-18(13)19-11-21(26)34-12-20(19)35(4)22(36)23(2,3)14-8-15(24(28,29)30)10-16(9-14)25(31,32)33;1-4(2)5(7)6-3/h5-12H,1-4H3;4H,1-3H3,(H,6,7)
• InChIKey: RITDSIOFIVQMKG-UHFFFAOYSA-N
• XLogP: 8.22
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	634.04
LogP ≤ 5	8.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-chloro-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide;N,2-dimethylpropanamide?

The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-chloro-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide;N,2-dimethylpropanamide (CID 174497091) is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-chloro-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide;N,2-dimethylpropanamide.

What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-chloro-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide;N,2-dimethylpropanamide?

The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-chloro-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide;N,2-dimethylpropanamide is CNC(=O)C(C)C.Cc1cc(F)ccc1-c1cc(Cl)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.

What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-chloro-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide;N,2-dimethylpropanamide?

The InChIKey is RITDSIOFIVQMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClF7N2O.C5H11NO/c1-13-7-17(27)5-6-18(13)19-11-21(26)34-12-20(19)35(4)22(36)23(2,3)14-8-15(24(28,29)30)10-16(9-14)25(31,32)33;1-4(2)5(7)6-3/h5-12H,1-4H3;4H,1-3H3,(H,6,7).

What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-chloro-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide;N,2-dimethylpropanamide?

2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-chloro-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide;N,2-dimethylpropanamide has a molecular weight of 634.04 g/mol, XLogP of 8.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-chloro-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide;N,2-dimethylpropanamide is sourced from PubChem (CID 174497091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).