N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]hexanamide

C14H16BrN3O2 — CID 4955559

IUPACN-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]hexanamide
SMILESCCCCCC(=O)/N=N/c1c(O)[nH]c2ccc(Br)cc12
InChIInChI=1S/C14H16BrN3O2/c1-2-3-4-5-12(19)17-18-13-10-8-9(15)6-7-11(10)16-14(13)20/h6-8,16,20H,2-5H2,1H3/b18-17+
InChIKeyPMYXEOCOICWFFO-ISLYRVAYSA-N
MW338.21 g/mol
LogP4.83
Rot. Bonds5

About N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]hexanamide

N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]hexanamide (PubChem CID 4955559) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]hexanamide.

Molecular Properties

Compound NameN-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]hexanamide
PubChem CID4955559
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC NameN-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]hexanamide
SMILESCCCCCC(=O)/N=N/c1c(O)[nH]c2ccc(Br)cc12
InChIInChI=1S/C14H16BrN3O2/c1-2-3-4-5-12(19)17-18-13-10-8-9(15)6-7-11(10)16-14(13)20/h6-8,16,20H,2-5H2,1H3/b18-17+
InChIKeyPMYXEOCOICWFFO-ISLYRVAYSA-N
XLogP4.83
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]hexanamide?
The IUPAC name of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]hexanamide (CID 4955559) is N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]hexanamide.
What is the SMILES notation for N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]hexanamide?
The canonical SMILES for N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]hexanamide is CCCCCC(=O)/N=N/c1c(O)[nH]c2ccc(Br)cc12.
What is the InChIKey of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]hexanamide?
The InChIKey is PMYXEOCOICWFFO-ISLYRVAYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-2-3-4-5-12(19)17-18-13-10-8-9(15)6-7-11(10)16-14(13)20/h6-8,16,20H,2-5H2,1H3/b18-17+.
What are the key properties of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]hexanamide?
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]hexanamide has a molecular weight of 338.21 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]hexanamide is sourced from PubChem (CID 4955559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).