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

C15H9N5O6 — CID 3718757

IUPACN-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-nitrobenzamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H9N5O6/c21-14(9-3-1-2-4-12(9)20(25)26)18-17-13-10-7-8(19(23)24)5-6-11(10)16-15(13)22/h1-7,16,22H/b18-17+
InChIKeyKHDUAPDCGLRQTD-ISLYRVAYSA-N
MW355.27 g/mol
LogP3.61
Rot. Bonds4

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

N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-nitrobenzamide (PubChem CID 3718757) has the molecular formula C15H9N5O6 and a molecular weight of 355.27 g/mol. Its IUPAC name is N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-nitrobenzamide.

Molecular Properties

Compound NameN-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-nitrobenzamide
PubChem CID3718757
Molecular FormulaC15H9N5O6
Molecular Weight355.27 g/mol
Exact Mass355.06
IUPAC NameN-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-nitrobenzamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H9N5O6/c21-14(9-3-1-2-4-12(9)20(25)26)18-17-13-10-7-8(19(23)24)5-6-11(10)16-15(13)22/h1-7,16,22H/b18-17+
InChIKeyKHDUAPDCGLRQTD-ISLYRVAYSA-N
XLogP3.61
TPSA164.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.27
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'}

Analyze N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[N'-(2-Oxo-1,2-dihydro-indol-3-ylidene)-hydrazino]-benzoic acid
CID 5033943
(3Z)-3-[2-(2-carboxyphenyl)hydrazin-1-ylidene]-2-oxo-2,3-dihydro-1H-indole-5-carboxylic acid
CID 135924030
(E)-N'-(5-nitro-2-oxoindolin-3-ylidene)hexanehydrazide
CID 3789101
2-[(4-methylphenyl)amino]-N'-[(3E)-5-nitro-2-oxo-1,2-dihydro-3H-indol-3-ylidene]acetohydrazide (non-preferred name)
CID 3257213
2-[(2-methylphenyl)amino]-N'-[(3Z)-5-nitro-2-oxo-1,2-dihydro-3H-indol-3-ylidene]acetohydrazide (non-preferred name)
CID 3822490
2-chloro-N'-(5-nitro-2-oxo-3-indolyl)benzohydrazide
CID 4986115
(3Z)-5-fluoro-1H-indole-2,3-dione 3-[(4-nitrophenyl)hydrazone]
CID 135594431
5-nitro-3-(3-oxo-1H-indol-2-ylidene)-1H-indol-2-one
CID 135418376
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-hydroxyphenyl)acetamide
CID 136026058
3-(2-(4-Nitrophenyl)hydrazinyl)indol-2-one
CID 3776068
(3Z)-3-[2-(3-carboxyphenyl)hydrazin-1-ylidene]-2-oxo-2,3-dihydro-1H-indole-5-carboxylic acid
CID 135924021
N-hydroxy-4-((3-(hydroxyimino)-5-nitro-2-oxoindolin-1-yl)methyl)benzamide (6h)
CID 137224538

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-nitrobenzamide?
The IUPAC name of N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-nitrobenzamide (CID 3718757) is N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-nitrobenzamide.
What is the SMILES notation for N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-nitrobenzamide?
The canonical SMILES for N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-nitrobenzamide is O=C(/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-nitrobenzamide?
The InChIKey is KHDUAPDCGLRQTD-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H9N5O6/c21-14(9-3-1-2-4-12(9)20(25)26)18-17-13-10-7-8(19(23)24)5-6-11(10)16-15(13)22/h1-7,16,22H/b18-17+.
What are the key properties of N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-nitrobenzamide?
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-nitrobenzamide has a molecular weight of 355.27 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-nitrobenzamide is sourced from PubChem (CID 3718757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).