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

C15H13N5O7 — CID 3865782

IUPACN-[2-hydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]-5-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(C)cc(/N=N/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)c1O
InChIInChI=1S/C15H13N5O7/c1-7-3-10(16-8(2)21)14(22)11(4-7)17-18-12-5-9(19(24)25)6-13(15(12)23)20(26)27/h3-6,22-23H,1-2H3,(H,16,21)/b18-17+
InChIKeyYRAINWPKPRBSTH-ISLYRVAYSA-N
MW375.30 g/mol
LogP3.60
Rot. Bonds5

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

N-[2-hydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]-5-methylphenyl]acetamide (PubChem CID 3865782) has the molecular formula C15H13N5O7 and a molecular weight of 375.30 g/mol. Its IUPAC name is N-[2-hydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]-5-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]-5-methylphenyl]acetamide
PubChem CID3865782
Molecular FormulaC15H13N5O7
Molecular Weight375.30 g/mol
Exact Mass375.08
IUPAC NameN-[2-hydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]-5-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(C)cc(/N=N/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)c1O
InChIInChI=1S/C15H13N5O7/c1-7-3-10(16-8(2)21)14(22)11(4-7)17-18-12-5-9(19(24)25)6-13(15(12)23)20(26)27/h3-6,22-23H,1-2H3,(H,16,21)/b18-17+
InChIKeyYRAINWPKPRBSTH-ISLYRVAYSA-N
XLogP3.60
TPSA180.56 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]-5-methylphenyl]acetamide?
The IUPAC name of N-[2-hydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]-5-methylphenyl]acetamide (CID 3865782) is N-[2-hydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]-5-methylphenyl]acetamide.
What is the SMILES notation for N-[2-hydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]-5-methylphenyl]acetamide?
The canonical SMILES for N-[2-hydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]-5-methylphenyl]acetamide is CC(=O)Nc1cc(C)cc(/N=N/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)c1O.
What is the InChIKey of N-[2-hydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]-5-methylphenyl]acetamide?
The InChIKey is YRAINWPKPRBSTH-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H13N5O7/c1-7-3-10(16-8(2)21)14(22)11(4-7)17-18-12-5-9(19(24)25)6-13(15(12)23)20(26)27/h3-6,22-23H,1-2H3,(H,16,21)/b18-17+.
What are the key properties of N-[2-hydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]-5-methylphenyl]acetamide?
N-[2-hydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]-5-methylphenyl]acetamide has a molecular weight of 375.30 g/mol, XLogP of 3.60, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]-5-methylphenyl]acetamide is sourced from PubChem (CID 3865782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).