N-(2-bromo-4-nitrophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine

C15H12BrFN2O2 — CID 83067494

IUPACN-(2-bromo-4-nitrophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESO=[N+]([O-])c1ccc(NC2CCc3c(F)cccc32)c(Br)c1
InChIInChI=1S/C15H12BrFN2O2/c16-12-8-9(19(20)21)4-6-15(12)18-14-7-5-10-11(14)2-1-3-13(10)17/h1-4,6,8,14,18H,5,7H2
InChIKeyQEPRALIWGJLNOA-UHFFFAOYSA-N
MW351.18 g/mol
LogP4.60
Rot. Bonds3

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

N-(2-bromo-4-nitrophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 83067494) has the molecular formula C15H12BrFN2O2 and a molecular weight of 351.18 g/mol. Its IUPAC name is N-(2-bromo-4-nitrophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-(2-bromo-4-nitrophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID83067494
Molecular FormulaC15H12BrFN2O2
Molecular Weight351.18 g/mol
Exact Mass350.01
IUPAC NameN-(2-bromo-4-nitrophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESO=[N+]([O-])c1ccc(NC2CCc3c(F)cccc32)c(Br)c1
InChIInChI=1S/C15H12BrFN2O2/c16-12-8-9(19(20)21)4-6-15(12)18-14-7-5-10-11(14)2-1-3-13(10)17/h1-4,6,8,14,18H,5,7H2
InChIKeyQEPRALIWGJLNOA-UHFFFAOYSA-N
XLogP4.60
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.18
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-bromo-4-nitrophenyl)-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

Related Compounds

1-(2-bromo-4-nitroanilino)-2,3-dihydro-1H-inden-4-ol
CID 43742368
4-fluoro-N-(2-methyl-4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
CID 83065489
4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-nitrophenol
CID 83065641
N-(2-bromo-4-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43742304
4-fluoro-N-(5-fluoro-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
CID 83065284
4-bromo-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzonitrile
CID 107797461
N-(5-bromo-4-fluoro-2-methylphenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 107591170
N-(2-bromo-4-nitrophenyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107149127
2-bromo-N-cyclopentyl-4-nitroaniline
CID 2767819
N-(2-bromo-4-nitrophenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79078552
N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 107610126
N-(3,5-difluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 79483667

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-nitrophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-(2-bromo-4-nitrophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine (CID 83067494) is N-(2-bromo-4-nitrophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-(2-bromo-4-nitrophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-(2-bromo-4-nitrophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine is O=[N+]([O-])c1ccc(NC2CCc3c(F)cccc32)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-nitrophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is QEPRALIWGJLNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O2/c16-12-8-9(19(20)21)4-6-15(12)18-14-7-5-10-11(14)2-1-3-13(10)17/h1-4,6,8,14,18H,5,7H2.
What are the key properties of N-(2-bromo-4-nitrophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine?
N-(2-bromo-4-nitrophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 351.18 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-nitrophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 83067494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).