N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-4-methyl-2-nitrobenzamide

C16H11N5O6 — CID 135592265

IUPACN-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-4-methyl-2-nitrobenzamide
SMILESCc1ccc(C(=O)/N=N/c2c(O)[nH]c3ccc([N+](=O)[O-])cc23)c([N+](=O)[O-])c1
InChIInChI=1S/C16H11N5O6/c1-8-2-4-10(13(6-8)21(26)27)15(22)19-18-14-11-7-9(20(24)25)3-5-12(11)17-16(14)23/h2-7,17,23H,1H3/b19-18+
InChIKeyPPOHUEBXFYJNMG-VHEBQXMUSA-N
MW369.29 g/mol
LogP3.92
Rot. Bonds4

About N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-4-methyl-2-nitrobenzamide

N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-4-methyl-2-nitrobenzamide (PubChem CID 135592265) has the molecular formula C16H11N5O6 and a molecular weight of 369.29 g/mol. Its IUPAC name is N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-4-methyl-2-nitrobenzamide.

Molecular Properties

Compound NameN-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-4-methyl-2-nitrobenzamide
PubChem CID135592265
Molecular FormulaC16H11N5O6
Molecular Weight369.29 g/mol
Exact Mass369.07
IUPAC NameN-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-4-methyl-2-nitrobenzamide
SMILESCc1ccc(C(=O)/N=N/c2c(O)[nH]c3ccc([N+](=O)[O-])cc23)c([N+](=O)[O-])c1
InChIInChI=1S/C16H11N5O6/c1-8-2-4-10(13(6-8)21(26)27)15(22)19-18-14-11-7-9(20(24)25)3-5-12(11)17-16(14)23/h2-7,17,23H,1H3/b19-18+
InChIKeyPPOHUEBXFYJNMG-VHEBQXMUSA-N
XLogP3.92
TPSA164.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.29
LogP ≤ 53.92
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]-4-methyl-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

N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-4-methyl-3-nitrobenzamide
CID 3675152
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-3-methylbenzamide
CID 3870793
1-N,4-N-bis[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzene-1,4-dicarboxamide
CID 135486408
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]acetamide
CID 4658670
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]naphthalene-1-carboxamide
CID 135647538
N-[(2-hydroxy-1H-indol-3-yl)imino]-2,5-dinitrobenzamide
CID 3597400
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]furan-2-carboxamide
CID 3382763
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]pyridine-2-carboxamide
CID 3101810
N,N'-bis[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]octanediamide
CID 135544236
N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(3-nitrophenyl)acetamide
CID 136544251
2-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]-5-nitrobenzamide
CID 135976516
2-chloro-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzamide
CID 788827

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-4-methyl-2-nitrobenzamide?
The IUPAC name of N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-4-methyl-2-nitrobenzamide (CID 135592265) is N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-4-methyl-2-nitrobenzamide.
What is the SMILES notation for N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-4-methyl-2-nitrobenzamide?
The canonical SMILES for N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-4-methyl-2-nitrobenzamide is Cc1ccc(C(=O)/N=N/c2c(O)[nH]c3ccc([N+](=O)[O-])cc23)c([N+](=O)[O-])c1.
What is the InChIKey of N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-4-methyl-2-nitrobenzamide?
The InChIKey is PPOHUEBXFYJNMG-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H11N5O6/c1-8-2-4-10(13(6-8)21(26)27)15(22)19-18-14-11-7-9(20(24)25)3-5-12(11)17-16(14)23/h2-7,17,23H,1H3/b19-18+.
What are the key properties of N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-4-methyl-2-nitrobenzamide?
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-4-methyl-2-nitrobenzamide has a molecular weight of 369.29 g/mol, XLogP of 3.92, 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]-4-methyl-2-nitrobenzamide is sourced from PubChem (CID 135592265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).