N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]acridin-9-amine

C20H13ClFN3 — CID 44715022

IUPACN-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]acridin-9-amine
SMILESFc1cccc(Cl)c1/C=N/Nc1c2ccccc2nc2ccccc12
InChIInChI=1S/C20H13ClFN3/c21-16-8-5-9-17(22)15(16)12-23-25-20-13-6-1-3-10-18(13)24-19-11-4-2-7-14(19)20/h1-12H,(H,24,25)/b23-12+
InChIKeyGNIDCOIWBYXGKO-FSJBWODESA-N
MW349.80 g/mol
LogP5.63
Rot. Bonds3

About N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]acridin-9-amine

N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]acridin-9-amine (PubChem CID 44715022) has the molecular formula C20H13ClFN3 and a molecular weight of 349.80 g/mol. Its IUPAC name is N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]acridin-9-amine.

Molecular Properties

Compound NameN-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]acridin-9-amine
PubChem CID44715022
Molecular FormulaC20H13ClFN3
Molecular Weight349.80 g/mol
Exact Mass349.08
IUPAC NameN-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]acridin-9-amine
SMILESFc1cccc(Cl)c1/C=N/Nc1c2ccccc2nc2ccccc12
InChIInChI=1S/C20H13ClFN3/c21-16-8-5-9-17(22)15(16)12-23-25-20-13-6-1-3-10-18(13)24-19-11-4-2-7-14(19)20/h1-12H,(H,24,25)/b23-12+
InChIKeyGNIDCOIWBYXGKO-FSJBWODESA-N
XLogP5.63
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.80
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]acridin-9-amine?
The IUPAC name of N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]acridin-9-amine (CID 44715022) is N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]acridin-9-amine.
What is the SMILES notation for N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]acridin-9-amine?
The canonical SMILES for N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]acridin-9-amine is Fc1cccc(Cl)c1/C=N/Nc1c2ccccc2nc2ccccc12.
What is the InChIKey of N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]acridin-9-amine?
The InChIKey is GNIDCOIWBYXGKO-FSJBWODESA-N. The full InChI is InChI=1S/C20H13ClFN3/c21-16-8-5-9-17(22)15(16)12-23-25-20-13-6-1-3-10-18(13)24-19-11-4-2-7-14(19)20/h1-12H,(H,24,25)/b23-12+.
What are the key properties of N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]acridin-9-amine?
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]acridin-9-amine has a molecular weight of 349.80 g/mol, XLogP of 5.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]acridin-9-amine is sourced from PubChem (CID 44715022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).