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

C15H8Br2N4O4 — CID 3093249

IUPACN-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-3-nitrobenzamide
SMILESO=C(/N=N/c1c(O)[nH]c2c(Br)cc(Br)cc12)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H8Br2N4O4/c16-8-5-10-12(11(17)6-8)18-15(23)13(10)19-20-14(22)7-2-1-3-9(4-7)21(24)25/h1-6,18,23H/b20-19+
InChIKeyIZCMXUYFCGOISZ-FMQUCBEESA-N
MW468.06 g/mol
LogP5.23
Rot. Bonds3

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

N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-3-nitrobenzamide (PubChem CID 3093249) has the molecular formula C15H8Br2N4O4 and a molecular weight of 468.06 g/mol. Its IUPAC name is N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-3-nitrobenzamide
PubChem CID3093249
Molecular FormulaC15H8Br2N4O4
Molecular Weight468.06 g/mol
Exact Mass465.89
IUPAC NameN-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-3-nitrobenzamide
SMILESO=C(/N=N/c1c(O)[nH]c2c(Br)cc(Br)cc12)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H8Br2N4O4/c16-8-5-10-12(11(17)6-8)18-15(23)13(10)19-20-14(22)7-2-1-3-9(4-7)21(24)25/h1-6,18,23H/b20-19+
InChIKeyIZCMXUYFCGOISZ-FMQUCBEESA-N
XLogP5.23
TPSA120.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.06
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-2-hydroxy-1,7-dimethylindol-3-yl)imino-3-nitrobenzamide
CID 1381534
N-[(2S)-1-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)diazenyl]-1-oxopropan-2-yl]benzamide
CID 2322751
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-3-methylbenzamide
CID 3870793
3-bromo-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 1034759
N-[2-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]-3-fluorobenzamide
CID 1420173
N-(5-bromo-1-ethyl-2-hydroxyindol-3-yl)imino-3-nitrobenzamide
CID 136863459
1-N,4-N-bis[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzene-1,4-dicarboxamide
CID 135486408
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-hydroxybenzamide
CID 1381490
N-[(2-hydroxy-7-methyl-5-nitro-1H-indol-3-yl)imino]-4-methylbenzamide
CID 5197654
N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-methylquinoline-3-carboxamide
CID 1381505
3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 749764
N-[(7-bromo-2-hydroxy-1H-indol-3-yl)imino]-4-chlorobenzamide
CID 1040030

Frequently Asked Questions

What is the IUPAC name of N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-3-nitrobenzamide?
The IUPAC name of N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-3-nitrobenzamide (CID 3093249) is N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-3-nitrobenzamide.
What is the SMILES notation for N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-3-nitrobenzamide?
The canonical SMILES for N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-3-nitrobenzamide is O=C(/N=N/c1c(O)[nH]c2c(Br)cc(Br)cc12)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-3-nitrobenzamide?
The InChIKey is IZCMXUYFCGOISZ-FMQUCBEESA-N. The full InChI is InChI=1S/C15H8Br2N4O4/c16-8-5-10-12(11(17)6-8)18-15(23)13(10)19-20-14(22)7-2-1-3-9(4-7)21(24)25/h1-6,18,23H/b20-19+.
What are the key properties of N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-3-nitrobenzamide?
N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-3-nitrobenzamide has a molecular weight of 468.06 g/mol, XLogP of 5.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-3-nitrobenzamide is sourced from PubChem (CID 3093249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).