N-[(E)-(4-fluorophenyl)methylideneamino]benzo[cd]indol-2-amine

C18H12FN3 — CID 6899637

IUPACN-[(E)-(4-fluorophenyl)methylideneamino]benzo[cd]indol-2-amine
SMILESFc1ccc(/C=N/NC2=Nc3cccc4cccc2c34)cc1
InChIInChI=1S/C18H12FN3/c19-14-9-7-12(8-10-14)11-20-22-18-15-5-1-3-13-4-2-6-16(21-18)17(13)15/h1-11H,(H,21,22)/b20-11+
InChIKeyJWPZSFIEQDPLJW-RGVLZGJSSA-N
MW289.31 g/mol
LogP3.99
Rot. Bonds2

About N-[(E)-(4-fluorophenyl)methylideneamino]benzo[cd]indol-2-amine

N-[(E)-(4-fluorophenyl)methylideneamino]benzo[cd]indol-2-amine (PubChem CID 6899637) has the molecular formula C18H12FN3 and a molecular weight of 289.31 g/mol. Its IUPAC name is N-[(E)-(4-fluorophenyl)methylideneamino]benzo[cd]indol-2-amine.

Molecular Properties

Compound NameN-[(E)-(4-fluorophenyl)methylideneamino]benzo[cd]indol-2-amine
PubChem CID6899637
Molecular FormulaC18H12FN3
Molecular Weight289.31 g/mol
Exact Mass289.10
IUPAC NameN-[(E)-(4-fluorophenyl)methylideneamino]benzo[cd]indol-2-amine
SMILESFc1ccc(/C=N/NC2=Nc3cccc4cccc2c34)cc1
InChIInChI=1S/C18H12FN3/c19-14-9-7-12(8-10-14)11-20-22-18-15-5-1-3-13-4-2-6-16(21-18)17(13)15/h1-11H,(H,21,22)/b20-11+
InChIKeyJWPZSFIEQDPLJW-RGVLZGJSSA-N
XLogP3.99
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.99
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-[(E)-(4-fluorophenyl)methylideneamino]benzo[cd]indol-2-amine?
The IUPAC name of N-[(E)-(4-fluorophenyl)methylideneamino]benzo[cd]indol-2-amine (CID 6899637) is N-[(E)-(4-fluorophenyl)methylideneamino]benzo[cd]indol-2-amine.
What is the SMILES notation for N-[(E)-(4-fluorophenyl)methylideneamino]benzo[cd]indol-2-amine?
The canonical SMILES for N-[(E)-(4-fluorophenyl)methylideneamino]benzo[cd]indol-2-amine is Fc1ccc(/C=N/NC2=Nc3cccc4cccc2c34)cc1.
What is the InChIKey of N-[(E)-(4-fluorophenyl)methylideneamino]benzo[cd]indol-2-amine?
The InChIKey is JWPZSFIEQDPLJW-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H12FN3/c19-14-9-7-12(8-10-14)11-20-22-18-15-5-1-3-13-4-2-6-16(21-18)17(13)15/h1-11H,(H,21,22)/b20-11+.
What are the key properties of N-[(E)-(4-fluorophenyl)methylideneamino]benzo[cd]indol-2-amine?
N-[(E)-(4-fluorophenyl)methylideneamino]benzo[cd]indol-2-amine has a molecular weight of 289.31 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-fluorophenyl)methylideneamino]benzo[cd]indol-2-amine is sourced from PubChem (CID 6899637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).