3-(4-amino-2-fluorophenyl)-7-bromonaphthalen-2-ol

C16H11BrFNO — CID 163450634

IUPAC3-(4-amino-2-fluorophenyl)-7-bromonaphthalen-2-ol
SMILESNc1ccc(-c2cc3ccc(Br)cc3cc2O)c(F)c1
InChIInChI=1S/C16H11BrFNO/c17-11-2-1-9-6-14(16(20)7-10(9)5-11)13-4-3-12(19)8-15(13)18/h1-8,20H,19H2
InChIKeyBGHCCUARPFFTPO-UHFFFAOYSA-N
MW332.17 g/mol
LogP4.70
Rot. Bonds1

About 3-(4-amino-2-fluorophenyl)-7-bromonaphthalen-2-ol

3-(4-amino-2-fluorophenyl)-7-bromonaphthalen-2-ol (PubChem CID 163450634) has the molecular formula C16H11BrFNO and a molecular weight of 332.17 g/mol. Its IUPAC name is 3-(4-amino-2-fluorophenyl)-7-bromonaphthalen-2-ol.

Molecular Properties

Compound Name3-(4-amino-2-fluorophenyl)-7-bromonaphthalen-2-ol
PubChem CID163450634
Molecular FormulaC16H11BrFNO
Molecular Weight332.17 g/mol
Exact Mass331.00
IUPAC Name3-(4-amino-2-fluorophenyl)-7-bromonaphthalen-2-ol
SMILESNc1ccc(-c2cc3ccc(Br)cc3cc2O)c(F)c1
InChIInChI=1S/C16H11BrFNO/c17-11-2-1-9-6-14(16(20)7-10(9)5-11)13-4-3-12(19)8-15(13)18/h1-8,20H,19H2
InChIKeyBGHCCUARPFFTPO-UHFFFAOYSA-N
XLogP4.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.17
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(4-amino-2-fluorophenyl)-7-bromonaphthalen-2-ol 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 3-(4-amino-2-fluorophenyl)-7-bromonaphthalen-2-ol?
The IUPAC name of 3-(4-amino-2-fluorophenyl)-7-bromonaphthalen-2-ol (CID 163450634) is 3-(4-amino-2-fluorophenyl)-7-bromonaphthalen-2-ol.
What is the SMILES notation for 3-(4-amino-2-fluorophenyl)-7-bromonaphthalen-2-ol?
The canonical SMILES for 3-(4-amino-2-fluorophenyl)-7-bromonaphthalen-2-ol is Nc1ccc(-c2cc3ccc(Br)cc3cc2O)c(F)c1.
What is the InChIKey of 3-(4-amino-2-fluorophenyl)-7-bromonaphthalen-2-ol?
The InChIKey is BGHCCUARPFFTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFNO/c17-11-2-1-9-6-14(16(20)7-10(9)5-11)13-4-3-12(19)8-15(13)18/h1-8,20H,19H2.
What are the key properties of 3-(4-amino-2-fluorophenyl)-7-bromonaphthalen-2-ol?
3-(4-amino-2-fluorophenyl)-7-bromonaphthalen-2-ol has a molecular weight of 332.17 g/mol, XLogP of 4.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2-fluorophenyl)-7-bromonaphthalen-2-ol is sourced from PubChem (CID 163450634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).