[2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine

C17H18BrFN2 — CID 105324817

IUPAC[2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine
SMILESNNC(Cc1cc(F)cc(Br)c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H18BrFN2/c18-15-6-11(7-16(19)10-15)8-17(21-20)14-5-4-12-2-1-3-13(12)9-14/h4-7,9-10,17,21H,1-3,8,20H2
InChIKeyOUHBSWJFUPRLAS-UHFFFAOYSA-N
MW349.25 g/mol
LogP3.82
Rot. Bonds4

About [2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine

[2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine (PubChem CID 105324817) has the molecular formula C17H18BrFN2 and a molecular weight of 349.25 g/mol. Its IUPAC name is [2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine
PubChem CID105324817
Molecular FormulaC17H18BrFN2
Molecular Weight349.25 g/mol
Exact Mass348.06
IUPAC Name[2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine
SMILESNNC(Cc1cc(F)cc(Br)c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H18BrFN2/c18-15-6-11(7-16(19)10-15)8-17(21-20)14-5-4-12-2-1-3-13(12)9-14/h4-7,9-10,17,21H,1-3,8,20H2
InChIKeyOUHBSWJFUPRLAS-UHFFFAOYSA-N
XLogP3.82
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(3,4-difluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine
CID 105330384
[2-(5-bromo-2-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine
CID 105294931
[1-(3-bromo-5-chlorophenyl)-2-(3-bromo-5-fluorophenyl)ethyl]hydrazine
CID 107948391
[2-(3-bromo-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105324861
[1-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine
CID 105310656
[2-(4-bromo-2-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine
CID 105335217
[1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105285057
[2-(2,3-difluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine
CID 105297972
[2-(3-bromo-5-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105228370
[1-(4-bromo-3-methylphenyl)-2-(3,5-difluorophenyl)ethyl]hydrazine
CID 105413062
N-[(3-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 79710387
[1-(4-bromo-3-chlorophenyl)-2-(3,5-difluorophenyl)ethyl]hydrazine
CID 105413118

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine?
The IUPAC name of [2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine (CID 105324817) is [2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine?
The canonical SMILES for [2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine is NNC(Cc1cc(F)cc(Br)c1)c1ccc2c(c1)CCC2.
What is the InChIKey of [2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine?
The InChIKey is OUHBSWJFUPRLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFN2/c18-15-6-11(7-16(19)10-15)8-17(21-20)14-5-4-12-2-1-3-13(12)9-14/h4-7,9-10,17,21H,1-3,8,20H2.
What are the key properties of [2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine?
[2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine has a molecular weight of 349.25 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine is sourced from PubChem (CID 105324817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).