N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide

C₁₈H₁₃N₃O₃ — CID 6872935

About N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide

N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide (PubChem CID 6872935) has the molecular formula C₁₈H₁₃N₃O₃ and a molecular weight of 319.32 g/mol. Its IUPAC name is N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
• PubChem CID: 6872935
• Molecular Formula: C₁₈H₁₃N₃O₃
• Molecular Weight: 319.32 g/mol
• Exact Mass: 319.10
• IUPAC Name: N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
• SMILES: O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1
• InChI: InChI=1S/C18H13N3O3/c22-18(15-10-9-13-5-1-2-6-14(13)11-15)20-19-12-16-7-3-4-8-17(16)21(23)24/h1-12H,(H,20,22)/b19-12+
• InChIKey: CIKIPBSGEKXDCN-XDHOZWIPSA-N
• XLogP: 3.51
• TPSA: 84.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	319.32
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'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 N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide?

The IUPAC name of N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide (CID 6872935) is N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide.

What is the SMILES notation for N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide?

The canonical SMILES for N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide is O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1.

What is the InChIKey of N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide?

The InChIKey is CIKIPBSGEKXDCN-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H13N3O3/c22-18(15-10-9-13-5-1-2-6-14(13)11-15)20-19-12-16-7-3-4-8-17(16)21(23)24/h1-12H,(H,20,22)/b19-12+.

What are the key properties of N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide?

N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide has a molecular weight of 319.32 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide is sourced from PubChem (CID 6872935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6872935 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.