N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]heptanamide

C15H17Br2N3O2 — CID 4011928

IUPACN-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]heptanamide
SMILESCCCCCCC(=O)/N=N/c1c(O)[nH]c2c(Br)cc(Br)cc12
InChIInChI=1S/C15H17Br2N3O2/c1-2-3-4-5-6-12(21)19-20-14-10-7-9(16)8-11(17)13(10)18-15(14)22/h7-8,18,22H,2-6H2,1H3/b20-19+
InChIKeyUSEBHOYITXTIFV-FMQUCBEESA-N
MW431.13 g/mol
LogP5.98
Rot. Bonds6

About N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]heptanamide

N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]heptanamide (PubChem CID 4011928) has the molecular formula C15H17Br2N3O2 and a molecular weight of 431.13 g/mol. Its IUPAC name is N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]heptanamide.

Molecular Properties

Compound NameN-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]heptanamide
PubChem CID4011928
Molecular FormulaC15H17Br2N3O2
Molecular Weight431.13 g/mol
Exact Mass428.97
IUPAC NameN-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]heptanamide
SMILESCCCCCCC(=O)/N=N/c1c(O)[nH]c2c(Br)cc(Br)cc12
InChIInChI=1S/C15H17Br2N3O2/c1-2-3-4-5-6-12(21)19-20-14-10-7-9(16)8-11(17)13(10)18-15(14)22/h7-8,18,22H,2-6H2,1H3/b20-19+
InChIKeyUSEBHOYITXTIFV-FMQUCBEESA-N
XLogP5.98
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.13
LogP ≤ 55.98
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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Related Compounds

N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]hexanamide
CID 4955559
N,N'-bis[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]decanediamide
CID 4014458
2-(4-chlorophenoxy)-N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]pentanamide
CID 4634483
N-[2-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]-3-fluorobenzamide
CID 1420173
N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-ethylquinoline-4-carboxamide
CID 2319716
N-[(2S)-1-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)diazenyl]-1-oxopropan-2-yl]benzamide
CID 2322751
N,N'-bis[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]decanediamide
CID 4631655
N-[(5-bromo-2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(2-methylphenoxy)acetamide
CID 1126524
N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-methylquinoline-3-carboxamide
CID 1381505
N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-3-nitrobenzamide
CID 3093249
N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
CID 1399782
N,N'-bis[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]octanediamide
CID 135544236

Frequently Asked Questions

What is the IUPAC name of N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]heptanamide?
The IUPAC name of N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]heptanamide (CID 4011928) is N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]heptanamide.
What is the SMILES notation for N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]heptanamide?
The canonical SMILES for N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]heptanamide is CCCCCCC(=O)/N=N/c1c(O)[nH]c2c(Br)cc(Br)cc12.
What is the InChIKey of N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]heptanamide?
The InChIKey is USEBHOYITXTIFV-FMQUCBEESA-N. The full InChI is InChI=1S/C15H17Br2N3O2/c1-2-3-4-5-6-12(21)19-20-14-10-7-9(16)8-11(17)13(10)18-15(14)22/h7-8,18,22H,2-6H2,1H3/b20-19+.
What are the key properties of N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]heptanamide?
N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]heptanamide has a molecular weight of 431.13 g/mol, XLogP of 5.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]heptanamide is sourced from PubChem (CID 4011928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).