N-cyclohexyl-2,4,6-trihydroxy-3-nitrobenzamide

C13H16N2O6 — CID 5272628

IUPACN-cyclohexyl-2,4,6-trihydroxy-3-nitrobenzamide
SMILESO=C(NC1CCCCC1)c1c(O)cc(O)c([N+](=O)[O-])c1O
InChIInChI=1S/C13H16N2O6/c16-8-6-9(17)11(15(20)21)12(18)10(8)13(19)14-7-4-2-1-3-5-7/h6-7,16-18H,1-5H2,(H,14,19)
InChIKeyBNTKXJOGHLKDSJ-UHFFFAOYSA-N
MW296.28 g/mol
LogP1.77
Rot. Bonds3

About N-cyclohexyl-2,4,6-trihydroxy-3-nitrobenzamide

N-cyclohexyl-2,4,6-trihydroxy-3-nitrobenzamide (PubChem CID 5272628) has the molecular formula C13H16N2O6 and a molecular weight of 296.28 g/mol. Its IUPAC name is N-cyclohexyl-2,4,6-trihydroxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-cyclohexyl-2,4,6-trihydroxy-3-nitrobenzamide
PubChem CID5272628
Molecular FormulaC13H16N2O6
Molecular Weight296.28 g/mol
Exact Mass296.10
IUPAC NameN-cyclohexyl-2,4,6-trihydroxy-3-nitrobenzamide
SMILESO=C(NC1CCCCC1)c1c(O)cc(O)c([N+](=O)[O-])c1O
InChIInChI=1S/C13H16N2O6/c16-8-6-9(17)11(15(20)21)12(18)10(8)13(19)14-7-4-2-1-3-5-7/h6-7,16-18H,1-5H2,(H,14,19)
InChIKeyBNTKXJOGHLKDSJ-UHFFFAOYSA-N
XLogP1.77
TPSA132.93 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 51.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-cyclohexyl-2,4,6-trihydroxy-3-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-cyclooctyl-3,5-dinitrobenzamide
CID 4130171
1-N,3-N-dicyclopentyl-5-nitrobenzene-1,3-dicarboxamide
CID 4058305
N-cyclododecyl-4-nitrobenzamide
CID 19168070
3-amino-N-cyclohexyl-2-nitrobenzamide
CID 115548193
N-cycloheptyl-5-nitro-1H-pyrazole-3-carboxamide
CID 135803037
N-cyclopentyl-3-methyl-2-nitrobenzamide
CID 890353
N-cyclopentyl-5-methyl-2-nitrobenzamide
CID 65462834
N-cyclohexyl-4-[2-(4-fluorophenyl)propan-2-yl]-2,6-dihydroxybenzamide
CID 164538947
N-cyclohexyl-3-nitro-1H-indole-2-carboxamide
CID 10541273
N-cyclopentyl-2-hydrazinyl-5-nitrobenzamide
CID 62238321
N-cyclohexyl-4-(cyclohexylamino)-3-nitrobenzamide
CID 2959407
2-chloro-N-cycloheptyl-4-nitrobenzamide
CID 732198

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,4,6-trihydroxy-3-nitrobenzamide?
The IUPAC name of N-cyclohexyl-2,4,6-trihydroxy-3-nitrobenzamide (CID 5272628) is N-cyclohexyl-2,4,6-trihydroxy-3-nitrobenzamide.
What is the SMILES notation for N-cyclohexyl-2,4,6-trihydroxy-3-nitrobenzamide?
The canonical SMILES for N-cyclohexyl-2,4,6-trihydroxy-3-nitrobenzamide is O=C(NC1CCCCC1)c1c(O)cc(O)c([N+](=O)[O-])c1O.
What is the InChIKey of N-cyclohexyl-2,4,6-trihydroxy-3-nitrobenzamide?
The InChIKey is BNTKXJOGHLKDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O6/c16-8-6-9(17)11(15(20)21)12(18)10(8)13(19)14-7-4-2-1-3-5-7/h6-7,16-18H,1-5H2,(H,14,19).
What are the key properties of N-cyclohexyl-2,4,6-trihydroxy-3-nitrobenzamide?
N-cyclohexyl-2,4,6-trihydroxy-3-nitrobenzamide has a molecular weight of 296.28 g/mol, XLogP of 1.77, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,4,6-trihydroxy-3-nitrobenzamide is sourced from PubChem (CID 5272628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).