N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]-2,6-dichloropyridine-3-carboxamide

C24H18Cl2F6N2O2 — CID 87306390

About N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]-2,6-dichloropyridine-3-carboxamide

N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]-2,6-dichloropyridine-3-carboxamide (PubChem CID 87306390) has the molecular formula C24H18Cl2F6N2O2 and a molecular weight of 551.31 g/mol. Its IUPAC name is N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]-2,6-dichloropyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]-2,6-dichloropyridine-3-carboxamide
• PubChem CID: 87306390
• Molecular Formula: C24H18Cl2F6N2O2
• Molecular Weight: 551.31 g/mol
• Exact Mass: 550.06
• IUPAC Name: N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]-2,6-dichloropyridine-3-carboxamide
• SMILES: O=C(NCC(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1)c1ccc(Cl)nc1Cl
• InChI: InChI=1S/C24H18Cl2F6N2O2/c25-20-7-6-19(21(26)34-20)22(35)33-11-16(15-4-2-1-3-5-15)13-36-12-14-8-17(23(27,28)29)10-18(9-14)24(30,31)32/h1-10,16H,11-13H2,(H,33,35)
• InChIKey: WZVROSJDXXEBKD-UHFFFAOYSA-N
• XLogP: 7.16
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.31
LogP ≤ 5	7.16
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 N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]-2,6-dichloropyridine-3-carboxamide?

The IUPAC name of N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]-2,6-dichloropyridine-3-carboxamide (CID 87306390) is N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]-2,6-dichloropyridine-3-carboxamide.

What is the SMILES notation for N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]-2,6-dichloropyridine-3-carboxamide?

The canonical SMILES for N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]-2,6-dichloropyridine-3-carboxamide is O=C(NCC(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1)c1ccc(Cl)nc1Cl.

What is the InChIKey of N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]-2,6-dichloropyridine-3-carboxamide?

The InChIKey is WZVROSJDXXEBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2F6N2O2/c25-20-7-6-19(21(26)34-20)22(35)33-11-16(15-4-2-1-3-5-15)13-36-12-14-8-17(23(27,28)29)10-18(9-14)24(30,31)32/h1-10,16H,11-13H2,(H,33,35).

What are the key properties of N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]-2,6-dichloropyridine-3-carboxamide?

N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]-2,6-dichloropyridine-3-carboxamide has a molecular weight of 551.31 g/mol, XLogP of 7.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]-2,6-dichloropyridine-3-carboxamide is sourced from PubChem (CID 87306390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).