N-[(2-chloro-5-fluorophenyl)methyl]-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanamine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-phenylpropan-1-amine;ethane

C58H50Cl3F9N4 — CID 143473058

About N-[(2-chloro-5-fluorophenyl)methyl]-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanamine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-phenylpropan-1-amine;ethane

N-[(2-chloro-5-fluorophenyl)methyl]-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanamine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-phenylpropan-1-amine;ethane (PubChem CID 143473058) has the molecular formula C58H50Cl3F9N4 and a molecular weight of 1080.41 g/mol. Its IUPAC name is N-[(2-chloro-5-fluorophenyl)methyl]-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanamine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-phenylpropan-1-amine;ethane.

Molecular Properties

• Compound Name: N-[(2-chloro-5-fluorophenyl)methyl]-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanamine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-phenylpropan-1-amine;ethane
• PubChem CID: 143473058
• Molecular Formula: C58H50Cl3F9N4
• Molecular Weight: 1080.41 g/mol
• Exact Mass: 1078.30
• IUPAC Name: N-[(2-chloro-5-fluorophenyl)methyl]-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanamine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-phenylpropan-1-amine;ethane
• SMILES: CC.Fc1cc(C(F)(F)F)cc(C(Cc2ccccc2)(NCCCc2ccccc2)c2ccc(Cl)cn2)c1.Fc1cc(C(F)(F)F)cc(C(Cc2ccccc2)(NCc2cc(F)ccc2Cl)c2ccc(Cl)cn2)c1
• InChI: InChI=1S/C29H25ClF4N2.C27H19Cl2F5N2.C2H6/c30-25-13-14-27(35-20-25)28(19-22-10-5-2-6-11-22,36-15-7-12-21-8-3-1-4-9-21)23-16-24(29(32,33)34)18-26(31)17-23;28-21-6-9-25(35-16-21)26(14-17-4-2-1-3-5-17,36-15-18-10-22(30)7-8-24(18)29)19-11-20(27(32,33)34)13-23(31)12-19;1-2/h1-6,8-11,13-14,16-18,20,36H,7,12,15,19H2;1-13,16,36H,14-15H2;1-2H3
• InChIKey: SCMGTGJSDZZPOV-UHFFFAOYSA-N
• XLogP: 16.59
• TPSA: 49.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 16
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1080.41
LogP ≤ 5	16.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-fluorophenyl)methyl]-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanamine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-phenylpropan-1-amine;ethane?

The IUPAC name of N-[(2-chloro-5-fluorophenyl)methyl]-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanamine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-phenylpropan-1-amine;ethane (CID 143473058) is N-[(2-chloro-5-fluorophenyl)methyl]-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanamine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-phenylpropan-1-amine;ethane.

What is the SMILES notation for N-[(2-chloro-5-fluorophenyl)methyl]-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanamine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-phenylpropan-1-amine;ethane?

The canonical SMILES for N-[(2-chloro-5-fluorophenyl)methyl]-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanamine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-phenylpropan-1-amine;ethane is CC.Fc1cc(C(F)(F)F)cc(C(Cc2ccccc2)(NCCCc2ccccc2)c2ccc(Cl)cn2)c1.Fc1cc(C(F)(F)F)cc(C(Cc2ccccc2)(NCc2cc(F)ccc2Cl)c2ccc(Cl)cn2)c1.

What is the InChIKey of N-[(2-chloro-5-fluorophenyl)methyl]-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanamine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-phenylpropan-1-amine;ethane?

The InChIKey is SCMGTGJSDZZPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25ClF4N2.C27H19Cl2F5N2.C2H6/c30-25-13-14-27(35-20-25)28(19-22-10-5-2-6-11-22,36-15-7-12-21-8-3-1-4-9-21)23-16-24(29(32,33)34)18-26(31)17-23;28-21-6-9-25(35-16-21)26(14-17-4-2-1-3-5-17,36-15-18-10-22(30)7-8-24(18)29)19-11-20(27(32,33)34)13-23(31)12-19;1-2/h1-6,8-11,13-14,16-18,20,36H,7,12,15,19H2;1-13,16,36H,14-15H2;1-2H3.

What are the key properties of N-[(2-chloro-5-fluorophenyl)methyl]-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanamine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-phenylpropan-1-amine;ethane?

N-[(2-chloro-5-fluorophenyl)methyl]-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanamine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-phenylpropan-1-amine;ethane has a molecular weight of 1080.41 g/mol, XLogP of 16.59, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chloro-5-fluorophenyl)methyl]-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanamine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-phenylpropan-1-amine;ethane is sourced from PubChem (CID 143473058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).