N-[(2-fluorophenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide

C26H18FN3O2 — CID 4575869

IUPACN-[(2-fluorophenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide
SMILESO=C(NN=Cc1ccccc1F)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1
InChIInChI=1S/C26H18FN3O2/c27-22-9-2-1-5-20(22)15-28-29-25(31)19-13-11-17(12-14-19)16-30-23-10-4-7-18-6-3-8-21(24(18)23)26(30)32/h1-15H,16H2,(H,29,31)
InChIKeyJZJUKQRUSUHDAZ-UHFFFAOYSA-N
MW423.45 g/mol
LogP4.90
Rot. Bonds5

About N-[(2-fluorophenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide

N-[(2-fluorophenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide (PubChem CID 4575869) has the molecular formula C26H18FN3O2 and a molecular weight of 423.45 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide
PubChem CID4575869
Molecular FormulaC26H18FN3O2
Molecular Weight423.45 g/mol
Exact Mass423.14
IUPAC NameN-[(2-fluorophenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide
SMILESO=C(NN=Cc1ccccc1F)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1
InChIInChI=1S/C26H18FN3O2/c27-22-9-2-1-5-20(22)15-28-29-25(31)19-13-11-17(12-14-19)16-30-23-10-4-7-18-6-3-8-21(24(18)23)26(30)32/h1-15H,16H2,(H,29,31)
InChIKeyJZJUKQRUSUHDAZ-UHFFFAOYSA-N
XLogP4.90
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide?
The IUPAC name of N-[(2-fluorophenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide (CID 4575869) is N-[(2-fluorophenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide.
What is the SMILES notation for N-[(2-fluorophenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide?
The canonical SMILES for N-[(2-fluorophenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide is O=C(NN=Cc1ccccc1F)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide?
The InChIKey is JZJUKQRUSUHDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18FN3O2/c27-22-9-2-1-5-20(22)15-28-29-25(31)19-13-11-17(12-14-19)16-30-23-10-4-7-18-6-3-8-21(24(18)23)26(30)32/h1-15H,16H2,(H,29,31).
What are the key properties of N-[(2-fluorophenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide?
N-[(2-fluorophenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide has a molecular weight of 423.45 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide is sourced from PubChem (CID 4575869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).