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

C15H12BrClFN — CID 107632769

IUPACN-(2-bromo-5-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine
SMILESFc1ccc(Br)c(NC2Cc3ccc(Cl)cc3C2)c1
InChIInChI=1S/C15H12BrClFN/c16-14-4-3-12(18)8-15(14)19-13-6-9-1-2-11(17)5-10(9)7-13/h1-5,8,13,19H,6-7H2
InChIKeyXTDRVTRYSUEZPO-UHFFFAOYSA-N
MW340.62 g/mol
LogP4.82
Rot. Bonds2

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

N-(2-bromo-5-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine (PubChem CID 107632769) has the molecular formula C15H12BrClFN and a molecular weight of 340.62 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine
PubChem CID107632769
Molecular FormulaC15H12BrClFN
Molecular Weight340.62 g/mol
Exact Mass338.98
IUPAC NameN-(2-bromo-5-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine
SMILESFc1ccc(Br)c(NC2Cc3ccc(Cl)cc3C2)c1
InChIInChI=1S/C15H12BrClFN/c16-14-4-3-12(18)8-15(14)19-13-6-9-1-2-11(17)5-10(9)7-13/h1-5,8,13,19H,6-7H2
InChIKeyXTDRVTRYSUEZPO-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.62
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromo-3-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine
CID 115349085
N-(2-bromo-4-methylphenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine
CID 115348594
2-bromo-N-cyclobutyl-5-fluoroaniline
CID 107633201
5-chloro-N-(5-chloro-2-methylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 115348580
N-(2-bromo-5-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 107633014
5-chloro-N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-inden-2-amine
CID 115348720
N-(2-bromo-5-fluorophenyl)piperidin-4-amine
CID 107632991
N-[3-bromo-2-(methoxymethyl)phenyl]-5-chloro-2,3-dihydro-1H-inden-2-amine
CID 115348973
N-(2,4-difluorophenyl)-2,3-dihydro-1H-inden-2-amine
CID 43512842
5-chloro-N-(2,6-dichlorophenyl)-2,3-dihydro-1H-inden-2-amine
CID 115349088
N-(2-bromo-5-fluorophenyl)oxolan-3-amine
CID 107633205
N-(4-bromo-2-nitrophenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine
CID 115348913

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine (CID 107632769) is N-(2-bromo-5-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine is Fc1ccc(Br)c(NC2Cc3ccc(Cl)cc3C2)c1.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine?
The InChIKey is XTDRVTRYSUEZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFN/c16-14-4-3-12(18)8-15(14)19-13-6-9-1-2-11(17)5-10(9)7-13/h1-5,8,13,19H,6-7H2.
What are the key properties of N-(2-bromo-5-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine?
N-(2-bromo-5-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine has a molecular weight of 340.62 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 107632769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).