N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine

C15H11BrClF2N — CID 107610126

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESFc1cc(Cl)c(NC2CCc3c(F)cccc32)c(Br)c1
InChIInChI=1S/C15H11BrClF2N/c16-11-6-8(18)7-12(17)15(11)20-14-5-4-9-10(14)2-1-3-13(9)19/h1-3,6-7,14,20H,4-5H2
InChIKeyYNIBNRKIBQVDIY-UHFFFAOYSA-N
MW358.61 g/mol
LogP5.48
Rot. Bonds2

About N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine

N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 107610126) has the molecular formula C15H11BrClF2N and a molecular weight of 358.61 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID107610126
Molecular FormulaC15H11BrClF2N
Molecular Weight358.61 g/mol
Exact Mass356.97
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESFc1cc(Cl)c(NC2CCc3c(F)cccc32)c(Br)c1
InChIInChI=1S/C15H11BrClF2N/c16-11-6-8(18)7-12(17)15(11)20-14-5-4-9-10(14)2-1-3-13(9)19/h1-3,6-7,14,20H,4-5H2
InChIKeyYNIBNRKIBQVDIY-UHFFFAOYSA-N
XLogP5.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.61
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine 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 N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine (CID 107610126) is N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine is Fc1cc(Cl)c(NC2CCc3c(F)cccc32)c(Br)c1.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is YNIBNRKIBQVDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClF2N/c16-11-6-8(18)7-12(17)15(11)20-14-5-4-9-10(14)2-1-3-13(9)19/h1-3,6-7,14,20H,4-5H2.
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine?
N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 358.61 g/mol, XLogP of 5.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 107610126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).