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

C16H12N4O5 — CID 3758559

IUPACN-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C16H12N4O5/c1-25-13-5-3-2-4-10(13)15(21)19-18-14-11-8-9(20(23)24)6-7-12(11)17-16(14)22/h2-8,17,22H,1H3/b19-18+
InChIKeyUHLDAQBFRZVHJW-VHEBQXMUSA-N
MW340.30 g/mol
LogP3.71
Rot. Bonds4

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

N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-methoxybenzamide (PubChem CID 3758559) has the molecular formula C16H12N4O5 and a molecular weight of 340.30 g/mol. Its IUPAC name is N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-methoxybenzamide
PubChem CID3758559
Molecular FormulaC16H12N4O5
Molecular Weight340.30 g/mol
Exact Mass340.08
IUPAC NameN-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C16H12N4O5/c1-25-13-5-3-2-4-10(13)15(21)19-18-14-11-8-9(20(23)24)6-7-12(11)17-16(14)22/h2-8,17,22H,1H3/b19-18+
InChIKeyUHLDAQBFRZVHJW-VHEBQXMUSA-N
XLogP3.71
TPSA130.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-methoxybenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-methoxybenzamide?
The IUPAC name of N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-methoxybenzamide (CID 3758559) is N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-methoxybenzamide.
What is the SMILES notation for N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-methoxybenzamide?
The canonical SMILES for N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-methoxybenzamide is COc1ccccc1C(=O)/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-methoxybenzamide?
The InChIKey is UHLDAQBFRZVHJW-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H12N4O5/c1-25-13-5-3-2-4-10(13)15(21)19-18-14-11-8-9(20(23)24)6-7-12(11)17-16(14)22/h2-8,17,22H,1H3/b19-18+.
What are the key properties of N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-methoxybenzamide?
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-methoxybenzamide has a molecular weight of 340.30 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-methoxybenzamide is sourced from PubChem (CID 3758559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).