N-[4-hydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]phenyl]acetamide

C14H11N5O7 — CID 135666391

IUPACN-[4-hydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(O)c(/N=N/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)c1
InChIInChI=1S/C14H11N5O7/c1-7(20)15-8-2-3-13(21)10(4-8)16-17-11-5-9(18(23)24)6-12(14(11)22)19(25)26/h2-6,21-22H,1H3,(H,15,20)/b17-16+
InChIKeyPUWISJQTOXWLHC-WUKNDPDISA-N
MW361.27 g/mol
LogP3.29
Rot. Bonds5

About N-[4-hydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]phenyl]acetamide

N-[4-hydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]phenyl]acetamide (PubChem CID 135666391) has the molecular formula C14H11N5O7 and a molecular weight of 361.27 g/mol. Its IUPAC name is N-[4-hydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-hydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]phenyl]acetamide
PubChem CID135666391
Molecular FormulaC14H11N5O7
Molecular Weight361.27 g/mol
Exact Mass361.07
IUPAC NameN-[4-hydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(O)c(/N=N/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)c1
InChIInChI=1S/C14H11N5O7/c1-7(20)15-8-2-3-13(21)10(4-8)16-17-11-5-9(18(23)24)6-12(14(11)22)19(25)26/h2-6,21-22H,1H3,(H,15,20)/b17-16+
InChIKeyPUWISJQTOXWLHC-WUKNDPDISA-N
XLogP3.29
TPSA180.56 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]phenyl]acetamide?
The IUPAC name of N-[4-hydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]phenyl]acetamide (CID 135666391) is N-[4-hydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]phenyl]acetamide.
What is the SMILES notation for N-[4-hydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]phenyl]acetamide?
The canonical SMILES for N-[4-hydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]phenyl]acetamide is CC(=O)Nc1ccc(O)c(/N=N/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)c1.
What is the InChIKey of N-[4-hydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]phenyl]acetamide?
The InChIKey is PUWISJQTOXWLHC-WUKNDPDISA-N. The full InChI is InChI=1S/C14H11N5O7/c1-7(20)15-8-2-3-13(21)10(4-8)16-17-11-5-9(18(23)24)6-12(14(11)22)19(25)26/h2-6,21-22H,1H3,(H,15,20)/b17-16+.
What are the key properties of N-[4-hydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]phenyl]acetamide?
N-[4-hydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]phenyl]acetamide has a molecular weight of 361.27 g/mol, XLogP of 3.29, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]phenyl]acetamide is sourced from PubChem (CID 135666391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).