5-bromo-4-fluoro-2-naphthalen-2-yloxyaniline

C16H11BrFNO — CID 66110371

IUPAC5-bromo-4-fluoro-2-naphthalen-2-yloxyaniline
SMILESNc1cc(Br)c(F)cc1Oc1ccc2ccccc2c1
InChIInChI=1S/C16H11BrFNO/c17-13-8-15(19)16(9-14(13)18)20-12-6-5-10-3-1-2-4-11(10)7-12/h1-9H,19H2
InChIKeyOIJSOPZQKWPENL-UHFFFAOYSA-N
MW332.17 g/mol
LogP5.12
Rot. Bonds2

About 5-bromo-4-fluoro-2-naphthalen-2-yloxyaniline

5-bromo-4-fluoro-2-naphthalen-2-yloxyaniline (PubChem CID 66110371) has the molecular formula C16H11BrFNO and a molecular weight of 332.17 g/mol. Its IUPAC name is 5-bromo-4-fluoro-2-naphthalen-2-yloxyaniline.

Molecular Properties

Compound Name5-bromo-4-fluoro-2-naphthalen-2-yloxyaniline
PubChem CID66110371
Molecular FormulaC16H11BrFNO
Molecular Weight332.17 g/mol
Exact Mass331.00
IUPAC Name5-bromo-4-fluoro-2-naphthalen-2-yloxyaniline
SMILESNc1cc(Br)c(F)cc1Oc1ccc2ccccc2c1
InChIInChI=1S/C16H11BrFNO/c17-13-8-15(19)16(9-14(13)18)20-12-6-5-10-3-1-2-4-11(10)7-12/h1-9H,19H2
InChIKeyOIJSOPZQKWPENL-UHFFFAOYSA-N
XLogP5.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.17
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-bromo-4-fluoro-2-naphthalen-2-yloxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-2-naphthalen-2-yloxyaniline?
The IUPAC name of 5-bromo-4-fluoro-2-naphthalen-2-yloxyaniline (CID 66110371) is 5-bromo-4-fluoro-2-naphthalen-2-yloxyaniline.
What is the SMILES notation for 5-bromo-4-fluoro-2-naphthalen-2-yloxyaniline?
The canonical SMILES for 5-bromo-4-fluoro-2-naphthalen-2-yloxyaniline is Nc1cc(Br)c(F)cc1Oc1ccc2ccccc2c1.
What is the InChIKey of 5-bromo-4-fluoro-2-naphthalen-2-yloxyaniline?
The InChIKey is OIJSOPZQKWPENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFNO/c17-13-8-15(19)16(9-14(13)18)20-12-6-5-10-3-1-2-4-11(10)7-12/h1-9H,19H2.
What are the key properties of 5-bromo-4-fluoro-2-naphthalen-2-yloxyaniline?
5-bromo-4-fluoro-2-naphthalen-2-yloxyaniline has a molecular weight of 332.17 g/mol, XLogP of 5.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-2-naphthalen-2-yloxyaniline is sourced from PubChem (CID 66110371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).