N-(5-bromo-2-chlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine

C15H12BrClFN — CID 116531008

IUPACN-(5-bromo-2-chlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESFc1ccc2c(c1)CCC2Nc1cc(Br)ccc1Cl
InChIInChI=1S/C15H12BrClFN/c16-10-2-5-13(17)15(8-10)19-14-6-1-9-7-11(18)3-4-12(9)14/h2-5,7-8,14,19H,1,6H2
InChIKeyKDHKPRUEMHNHMT-UHFFFAOYSA-N
MW340.62 g/mol
LogP5.34
Rot. Bonds2

About N-(5-bromo-2-chlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine

N-(5-bromo-2-chlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 116531008) has the molecular formula C15H12BrClFN and a molecular weight of 340.62 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID116531008
Molecular FormulaC15H12BrClFN
Molecular Weight340.62 g/mol
Exact Mass338.98
IUPAC NameN-(5-bromo-2-chlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESFc1ccc2c(c1)CCC2Nc1cc(Br)ccc1Cl
InChIInChI=1S/C15H12BrClFN/c16-10-2-5-13(17)15(8-10)19-14-6-1-9-7-11(18)3-4-12(9)14/h2-5,7-8,14,19H,1,6H2
InChIKeyKDHKPRUEMHNHMT-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

N-(2,5-dichloro-4-methylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116531137
N-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116531042
5-bromo-N-(2,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 55198817
4-bromo-2-fluoro-6-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]benzenesulfonamide
CID 166343044
5-bromo-N-(4-bromo-2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 107787981
N-(2,3-difluorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116530973
N-(2-chloro-5-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 107527044
1-(2-chloro-5-fluoroanilino)-2,3-dihydro-1H-inden-4-ol
CID 107527595
N-(5-bromo-2-chlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982072
5-bromo-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 63422795
N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 43119403
N-(2-tert-butylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116530861

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-(5-bromo-2-chlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine (CID 116531008) is N-(5-bromo-2-chlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine is Fc1ccc2c(c1)CCC2Nc1cc(Br)ccc1Cl.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is KDHKPRUEMHNHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFN/c16-10-2-5-13(17)15(8-10)19-14-6-1-9-7-11(18)3-4-12(9)14/h2-5,7-8,14,19H,1,6H2.
What are the key properties of N-(5-bromo-2-chlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine?
N-(5-bromo-2-chlorophenyl)-5-fluoro-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-(5-bromo-2-chlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 116531008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).