N-[(Z)-3-(ethylideneamino)-1-phenyl-2-[3-(trifluoromethyl)phenyl]pent-3-en-2-yl]-2,3-difluorobenzamide

C27H23F5N2O — CID 143473029

About N-[(Z)-3-(ethylideneamino)-1-phenyl-2-[3-(trifluoromethyl)phenyl]pent-3-en-2-yl]-2,3-difluorobenzamide

N-[(Z)-3-(ethylideneamino)-1-phenyl-2-[3-(trifluoromethyl)phenyl]pent-3-en-2-yl]-2,3-difluorobenzamide (PubChem CID 143473029) has the molecular formula C27H23F5N2O and a molecular weight of 486.48 g/mol. Its IUPAC name is N-[(Z)-3-(ethylideneamino)-1-phenyl-2-[3-(trifluoromethyl)phenyl]pent-3-en-2-yl]-2,3-difluorobenzamide.

Molecular Properties

• Compound Name: N-[(Z)-3-(ethylideneamino)-1-phenyl-2-[3-(trifluoromethyl)phenyl]pent-3-en-2-yl]-2,3-difluorobenzamide
• PubChem CID: 143473029
• Molecular Formula: C27H23F5N2O
• Molecular Weight: 486.48 g/mol
• Exact Mass: 486.17
• IUPAC Name: N-[(Z)-3-(ethylideneamino)-1-phenyl-2-[3-(trifluoromethyl)phenyl]pent-3-en-2-yl]-2,3-difluorobenzamide
• SMILES: C/C=N\C(=C/C)C(Cc1ccccc1)(NC(=O)c1cccc(F)c1F)c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C27H23F5N2O/c1-3-23(33-4-2)26(17-18-10-6-5-7-11-18,19-12-8-13-20(16-19)27(30,31)32)34-25(35)21-14-9-15-22(28)24(21)29/h3-16H,17H2,1-2H3,(H,34,35)/b23-3-,33-4-
• InChIKey: USUFGANFUSWVNZ-JBIWQLMVSA-N
• XLogP: 6.85
• TPSA: 41.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.48
LogP ≤ 5	6.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-(ethylideneamino)-1-phenyl-2-[3-(trifluoromethyl)phenyl]pent-3-en-2-yl]-2,3-difluorobenzamide?

The IUPAC name of N-[(Z)-3-(ethylideneamino)-1-phenyl-2-[3-(trifluoromethyl)phenyl]pent-3-en-2-yl]-2,3-difluorobenzamide (CID 143473029) is N-[(Z)-3-(ethylideneamino)-1-phenyl-2-[3-(trifluoromethyl)phenyl]pent-3-en-2-yl]-2,3-difluorobenzamide.

What is the SMILES notation for N-[(Z)-3-(ethylideneamino)-1-phenyl-2-[3-(trifluoromethyl)phenyl]pent-3-en-2-yl]-2,3-difluorobenzamide?

The canonical SMILES for N-[(Z)-3-(ethylideneamino)-1-phenyl-2-[3-(trifluoromethyl)phenyl]pent-3-en-2-yl]-2,3-difluorobenzamide is C/C=N\C(=C/C)C(Cc1ccccc1)(NC(=O)c1cccc(F)c1F)c1cccc(C(F)(F)F)c1.

What is the InChIKey of N-[(Z)-3-(ethylideneamino)-1-phenyl-2-[3-(trifluoromethyl)phenyl]pent-3-en-2-yl]-2,3-difluorobenzamide?

The InChIKey is USUFGANFUSWVNZ-JBIWQLMVSA-N. The full InChI is InChI=1S/C27H23F5N2O/c1-3-23(33-4-2)26(17-18-10-6-5-7-11-18,19-12-8-13-20(16-19)27(30,31)32)34-25(35)21-14-9-15-22(28)24(21)29/h3-16H,17H2,1-2H3,(H,34,35)/b23-3-,33-4-.

What are the key properties of N-[(Z)-3-(ethylideneamino)-1-phenyl-2-[3-(trifluoromethyl)phenyl]pent-3-en-2-yl]-2,3-difluorobenzamide?

N-[(Z)-3-(ethylideneamino)-1-phenyl-2-[3-(trifluoromethyl)phenyl]pent-3-en-2-yl]-2,3-difluorobenzamide has a molecular weight of 486.48 g/mol, XLogP of 6.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-3-(ethylideneamino)-1-phenyl-2-[3-(trifluoromethyl)phenyl]pent-3-en-2-yl]-2,3-difluorobenzamide is sourced from PubChem (CID 143473029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).