2,3,4,5,6-pentafluoro-N-[[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylideneamino]aniline

C24H14F5N3O3 — CID 5182434

About 2,3,4,5,6-pentafluoro-N-[[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylideneamino]aniline

2,3,4,5,6-pentafluoro-N-[[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylideneamino]aniline (PubChem CID 5182434) has the molecular formula C24H14F5N3O3 and a molecular weight of 487.38 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-[[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylideneamino]aniline.

Molecular Properties

• Compound Name: 2,3,4,5,6-pentafluoro-N-[[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylideneamino]aniline
• PubChem CID: 5182434
• Molecular Formula: C24H14F5N3O3
• Molecular Weight: 487.38 g/mol
• Exact Mass: 487.10
• IUPAC Name: 2,3,4,5,6-pentafluoro-N-[[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylideneamino]aniline
• SMILES: O=[N+]([O-])c1ccc(COc2ccc3ccccc3c2C=NNc2c(F)c(F)c(F)c(F)c2F)cc1
• InChI: InChI=1S/C24H14F5N3O3/c25-19-20(26)22(28)24(23(29)21(19)27)31-30-11-17-16-4-2-1-3-14(16)7-10-18(17)35-12-13-5-8-15(9-6-13)32(33)34/h1-11,31H,12H2
• InChIKey: GMLIJYQEKBNFBQ-UHFFFAOYSA-N
• XLogP: 6.47
• TPSA: 76.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.38
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-[[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylideneamino]aniline?

The IUPAC name of 2,3,4,5,6-pentafluoro-N-[[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylideneamino]aniline (CID 5182434) is 2,3,4,5,6-pentafluoro-N-[[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylideneamino]aniline.

What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-[[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylideneamino]aniline?

The canonical SMILES for 2,3,4,5,6-pentafluoro-N-[[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylideneamino]aniline is O=[N+]([O-])c1ccc(COc2ccc3ccccc3c2C=NNc2c(F)c(F)c(F)c(F)c2F)cc1.

What is the InChIKey of 2,3,4,5,6-pentafluoro-N-[[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylideneamino]aniline?

The InChIKey is GMLIJYQEKBNFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F5N3O3/c25-19-20(26)22(28)24(23(29)21(19)27)31-30-11-17-16-4-2-1-3-14(16)7-10-18(17)35-12-13-5-8-15(9-6-13)32(33)34/h1-11,31H,12H2.

What are the key properties of 2,3,4,5,6-pentafluoro-N-[[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylideneamino]aniline?

2,3,4,5,6-pentafluoro-N-[[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylideneamino]aniline has a molecular weight of 487.38 g/mol, XLogP of 6.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,4,5,6-pentafluoro-N-[[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylideneamino]aniline is sourced from PubChem (CID 5182434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).