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

C15H11Br2Cl2N — CID 107787981

IUPAC5-bromo-N-(4-bromo-2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine
SMILESClc1c(Br)ccc(NC2CCc3cc(Br)ccc32)c1Cl
InChIInChI=1S/C15H11Br2Cl2N/c16-9-2-3-10-8(7-9)1-5-12(10)20-13-6-4-11(17)14(18)15(13)19/h2-4,6-7,12,20H,1,5H2
InChIKeyHMVLFTAIQLVGCM-UHFFFAOYSA-N
MW435.97 g/mol
LogP6.62
Rot. Bonds2

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

5-bromo-N-(4-bromo-2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 107787981) has the molecular formula C15H11Br2Cl2N and a molecular weight of 435.97 g/mol. Its IUPAC name is 5-bromo-N-(4-bromo-2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-bromo-N-(4-bromo-2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID107787981
Molecular FormulaC15H11Br2Cl2N
Molecular Weight435.97 g/mol
Exact Mass432.86
IUPAC Name5-bromo-N-(4-bromo-2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine
SMILESClc1c(Br)ccc(NC2CCc3cc(Br)ccc32)c1Cl
InChIInChI=1S/C15H11Br2Cl2N/c16-9-2-3-10-8(7-9)1-5-12(10)20-13-6-4-11(17)14(18)15(13)19/h2-4,6-7,12,20H,1,5H2
InChIKeyHMVLFTAIQLVGCM-UHFFFAOYSA-N
XLogP6.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.97
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(2,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 55198817
5-bromo-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 63422795
N-(5-bromo-2-chlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116531008
N-(5-bromo-2,3-dihydro-1H-inden-1-yl)naphthalen-1-amine
CID 63418541
5-bromo-N-(4-bromo-3-methylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 63419334
5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine
CID 103412097
N-(4-bromo-2,3-dichlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 107787596
N-(2-bromo-4-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 81263302
4-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-2-chloro-1-N,1-N-dimethylbenzene-1,4-diamine
CID 63451436
5-bromo-N-(2-ethylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 133269650
1-(4-bromoanilino)-2,3-dihydro-1H-inden-5-ol
CID 107681800
2-chloro-N-(2,4-dibromophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81251839

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-bromo-2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-bromo-N-(4-bromo-2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine (CID 107787981) is 5-bromo-N-(4-bromo-2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-bromo-N-(4-bromo-2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-bromo-N-(4-bromo-2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine is Clc1c(Br)ccc(NC2CCc3cc(Br)ccc32)c1Cl.
What is the InChIKey of 5-bromo-N-(4-bromo-2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is HMVLFTAIQLVGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2Cl2N/c16-9-2-3-10-8(7-9)1-5-12(10)20-13-6-4-11(17)14(18)15(13)19/h2-4,6-7,12,20H,1,5H2.
What are the key properties of 5-bromo-N-(4-bromo-2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine?
5-bromo-N-(4-bromo-2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 435.97 g/mol, XLogP of 6.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-bromo-2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 107787981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).