(4-bromophenyl)-(1-methyl-2,3-dihydroindol-5-yl)diazene

C15H14BrN3 — CID 101076081

IUPAC(4-bromophenyl)-(1-methyl-2,3-dihydroindol-5-yl)diazene
SMILESCN1CCc2cc(/N=N/c3ccc(Br)cc3)ccc21
InChIInChI=1S/C15H14BrN3/c1-19-9-8-11-10-14(6-7-15(11)19)18-17-13-4-2-12(16)3-5-13/h2-7,10H,8-9H2,1H3/b18-17+
InChIKeyDAEGLCGGQZJURU-ISLYRVAYSA-N
MW316.20 g/mol
LogP4.86
Rot. Bonds2

About (4-bromophenyl)-(1-methyl-2,3-dihydroindol-5-yl)diazene

(4-bromophenyl)-(1-methyl-2,3-dihydroindol-5-yl)diazene (PubChem CID 101076081) has the molecular formula C15H14BrN3 and a molecular weight of 316.20 g/mol. Its IUPAC name is (4-bromophenyl)-(1-methyl-2,3-dihydroindol-5-yl)diazene.

Molecular Properties

Compound Name(4-bromophenyl)-(1-methyl-2,3-dihydroindol-5-yl)diazene
PubChem CID101076081
Molecular FormulaC15H14BrN3
Molecular Weight316.20 g/mol
Exact Mass315.04
IUPAC Name(4-bromophenyl)-(1-methyl-2,3-dihydroindol-5-yl)diazene
SMILESCN1CCc2cc(/N=N/c3ccc(Br)cc3)ccc21
InChIInChI=1S/C15H14BrN3/c1-19-9-8-11-10-14(6-7-15(11)19)18-17-13-4-2-12(16)3-5-13/h2-7,10H,8-9H2,1H3/b18-17+
InChIKeyDAEGLCGGQZJURU-ISLYRVAYSA-N
XLogP4.86
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

5-bromo-1-methyl-2,3-dihydroindole
CID 19361435
(1-methyl-2,3-dihydroindol-5-yl)-(4-nitrophenyl)diazene
CID 101076082
3-[6-[(4-bromophenyl)diazenyl]-3,4-dihydro-2H-quinolin-1-yl]propanenitrile
CID 2818385
(4-bromophenyl)-[1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]diazene
CID 102246990
6-bromo-1-methyl-2,3-dihydroindole
CID 13098380
(1-methyl-2,3-dihydroindol-5-yl)hydrazine
CID 116997170
5-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]-1-methyl-2,3-dihydroindole
CID 82561954
1-(1-methyl-2,3-dihydroindol-5-yl)cyclopropane-1-carbonitrile
CID 116997148
1-methyl-5-propyl-2,3-dihydroindole
CID 89046240
N-ethyl-1-methyl-2,3-dihydroindol-5-amine
CID 82539913
1-methyl-2,3-dihydroindole-5-sulfonic acid
CID 57117417
1-methyl-5-methylsulfonyl-2,3-dihydroindole
CID 90176022

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(1-methyl-2,3-dihydroindol-5-yl)diazene?
The IUPAC name of (4-bromophenyl)-(1-methyl-2,3-dihydroindol-5-yl)diazene (CID 101076081) is (4-bromophenyl)-(1-methyl-2,3-dihydroindol-5-yl)diazene.
What is the SMILES notation for (4-bromophenyl)-(1-methyl-2,3-dihydroindol-5-yl)diazene?
The canonical SMILES for (4-bromophenyl)-(1-methyl-2,3-dihydroindol-5-yl)diazene is CN1CCc2cc(/N=N/c3ccc(Br)cc3)ccc21.
What is the InChIKey of (4-bromophenyl)-(1-methyl-2,3-dihydroindol-5-yl)diazene?
The InChIKey is DAEGLCGGQZJURU-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H14BrN3/c1-19-9-8-11-10-14(6-7-15(11)19)18-17-13-4-2-12(16)3-5-13/h2-7,10H,8-9H2,1H3/b18-17+.
What are the key properties of (4-bromophenyl)-(1-methyl-2,3-dihydroindol-5-yl)diazene?
(4-bromophenyl)-(1-methyl-2,3-dihydroindol-5-yl)diazene has a molecular weight of 316.20 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(1-methyl-2,3-dihydroindol-5-yl)diazene is sourced from PubChem (CID 101076081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).