N-(3,4-dinitrophenyl)-4-hydroxybenzamide

C13H9N3O6 — CID 86673990

IUPACN-(3,4-dinitrophenyl)-4-hydroxybenzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1)c1ccc(O)cc1
InChIInChI=1S/C13H9N3O6/c17-10-4-1-8(2-5-10)13(18)14-9-3-6-11(15(19)20)12(7-9)16(21)22/h1-7,17H,(H,14,18)
InChIKeyGKZKMYUBCCEXRL-UHFFFAOYSA-N
MW303.23 g/mol
LogP2.46
Rot. Bonds4

About N-(3,4-dinitrophenyl)-4-hydroxybenzamide

N-(3,4-dinitrophenyl)-4-hydroxybenzamide (PubChem CID 86673990) has the molecular formula C13H9N3O6 and a molecular weight of 303.23 g/mol. Its IUPAC name is N-(3,4-dinitrophenyl)-4-hydroxybenzamide.

Molecular Properties

Compound NameN-(3,4-dinitrophenyl)-4-hydroxybenzamide
PubChem CID86673990
Molecular FormulaC13H9N3O6
Molecular Weight303.23 g/mol
Exact Mass303.05
IUPAC NameN-(3,4-dinitrophenyl)-4-hydroxybenzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1)c1ccc(O)cc1
InChIInChI=1S/C13H9N3O6/c17-10-4-1-8(2-5-10)13(18)14-9-3-6-11(15(19)20)12(7-9)16(21)22/h1-7,17H,(H,14,18)
InChIKeyGKZKMYUBCCEXRL-UHFFFAOYSA-N
XLogP2.46
TPSA135.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 52.46
H-Bond Donors ≤ 52
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'}

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Related Compounds

N-(3,4-dinitrophenyl)-4-nitrobenzamide
CID 5185042
4-hydroxy-N-(3-nitrophenyl)benzamide
CID 22759587
N-(3,4-dinitrophenyl)-4-(4-methylpiperazin-1-yl)benzamide
CID 86673957
4-acetamido-N-(4-methyl-3-nitrophenyl)benzamide
CID 78783914
4-bromo-N-[3-[(4-bromobenzoyl)amino]-4-nitrophenyl]benzamide
CID 3458872
N-(4-chloro-3-nitrophenyl)-4-iodobenzamide
CID 1340842
N-(4-fluoro-3-nitrophenyl)-4-methylbenzamide
CID 2853231
N-(3-amino-4-nitrophenyl)benzamide
CID 3685591
N-(3,4-dinitrophenyl)thiophene-2-carboxamide
CID 86673965
3-hydroxy-N-(4-methylphenyl)-4-nitrobenzamide
CID 17411476
N-(4-fluoro-2-nitrophenyl)-4-hydroxybenzamide
CID 110483155
4-[(dimethylamino)methyl]-N-(4-hydroxy-3-nitrophenyl)benzamide
CID 86800547

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dinitrophenyl)-4-hydroxybenzamide?
The IUPAC name of N-(3,4-dinitrophenyl)-4-hydroxybenzamide (CID 86673990) is N-(3,4-dinitrophenyl)-4-hydroxybenzamide.
What is the SMILES notation for N-(3,4-dinitrophenyl)-4-hydroxybenzamide?
The canonical SMILES for N-(3,4-dinitrophenyl)-4-hydroxybenzamide is O=C(Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1)c1ccc(O)cc1.
What is the InChIKey of N-(3,4-dinitrophenyl)-4-hydroxybenzamide?
The InChIKey is GKZKMYUBCCEXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O6/c17-10-4-1-8(2-5-10)13(18)14-9-3-6-11(15(19)20)12(7-9)16(21)22/h1-7,17H,(H,14,18).
What are the key properties of N-(3,4-dinitrophenyl)-4-hydroxybenzamide?
N-(3,4-dinitrophenyl)-4-hydroxybenzamide has a molecular weight of 303.23 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dinitrophenyl)-4-hydroxybenzamide is sourced from PubChem (CID 86673990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).