N-(3-bromo-4-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-1-amine

C15H12BrClFN — CID 104775719

IUPACN-(3-bromo-4-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-1-amine
SMILESFc1ccc(NC2CCc3cc(Cl)ccc32)cc1Br
InChIInChI=1S/C15H12BrClFN/c16-13-8-11(3-5-14(13)18)19-15-6-1-9-7-10(17)2-4-12(9)15/h2-5,7-8,15,19H,1,6H2
InChIKeyANTXZWWXCUYRJU-UHFFFAOYSA-N
MW340.62 g/mol
LogP5.34
Rot. Bonds2

About N-(3-bromo-4-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-1-amine

N-(3-bromo-4-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-1-amine (PubChem CID 104775719) has the molecular formula C15H12BrClFN and a molecular weight of 340.62 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-1-amine
PubChem CID104775719
Molecular FormulaC15H12BrClFN
Molecular Weight340.62 g/mol
Exact Mass338.98
IUPAC NameN-(3-bromo-4-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-1-amine
SMILESFc1ccc(NC2CCc3cc(Cl)ccc32)cc1Br
InChIInChI=1S/C15H12BrClFN/c16-13-8-11(3-5-14(13)18)19-15-6-1-9-7-10(17)2-4-12(9)15/h2-5,7-8,15,19H,1,6H2
InChIKeyANTXZWWXCUYRJU-UHFFFAOYSA-N
XLogP5.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.62
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-N-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 107363987
N-(3-bromo-4-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 104776130
5-bromo-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 63422795
1-N-(4-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 107619042
5-bromo-N-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 63423019
5-chloro-N-(2-chloro-4,6-difluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 83081805
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2,3,5,6-tetrafluoropyridin-4-amine
CID 133371686
1-(4-bromo-2,5-difluoroanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682773
N-(3-bromo-4-fluorophenyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107149647
2-fluoro-5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid
CID 107682089
1-(4-fluoro-3-methoxyanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682716
6-bromo-N-(4-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 114265381

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-1-amine (CID 104775719) is N-(3-bromo-4-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-1-amine is Fc1ccc(NC2CCc3cc(Cl)ccc32)cc1Br.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is ANTXZWWXCUYRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFN/c16-13-8-11(3-5-14(13)18)19-15-6-1-9-7-10(17)2-4-12(9)15/h2-5,7-8,15,19H,1,6H2.
What are the key properties of N-(3-bromo-4-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-1-amine?
N-(3-bromo-4-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 340.62 g/mol, XLogP of 5.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 104775719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).