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

C15H14N4O5 — CID 135601372

IUPACN-[2-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]-5-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(C)cc(/N=N/c2cc([N+](=O)[O-])ccc2O)c1O
InChIInChI=1S/C15H14N4O5/c1-8-5-12(16-9(2)20)15(22)13(6-8)18-17-11-7-10(19(23)24)3-4-14(11)21/h3-7,21-22H,1-2H3,(H,16,20)/b18-17+
InChIKeyFALQNKUJCMXVBL-ISLYRVAYSA-N
MW330.30 g/mol
LogP3.69
Rot. Bonds4

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

N-[2-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]-5-methylphenyl]acetamide (PubChem CID 135601372) has the molecular formula C15H14N4O5 and a molecular weight of 330.30 g/mol. Its IUPAC name is N-[2-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]-5-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]-5-methylphenyl]acetamide
PubChem CID135601372
Molecular FormulaC15H14N4O5
Molecular Weight330.30 g/mol
Exact Mass330.10
IUPAC NameN-[2-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]-5-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(C)cc(/N=N/c2cc([N+](=O)[O-])ccc2O)c1O
InChIInChI=1S/C15H14N4O5/c1-8-5-12(16-9(2)20)15(22)13(6-8)18-17-11-7-10(19(23)24)3-4-14(11)21/h3-7,21-22H,1-2H3,(H,16,20)/b18-17+
InChIKeyFALQNKUJCMXVBL-ISLYRVAYSA-N
XLogP3.69
TPSA137.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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Related Compounds

2-(methylideneamino)-4-nitrophenol
CID 153394573
2-bromo-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 4089912
2-[(4-methylphenyl)methylideneamino]-4-nitrophenol
CID 690997
5-(diethylamino)-2-[(2-hydroxy-5-nitrophenyl)diazenyl]phenol
CID 135608350
disodium;chromium(3+);3-hydroxy-4-[(2-hydroxynaphthalen-1-yl)diazenyl]-7-nitronaphthalene-1-sulfonate;N-[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-1-yl]acetamide
CID 156599340
N-[5-amino-2-[(2,6-dicyano-4-nitrophenyl)diazenyl]phenyl]acetamide
CID 71385265
N-(2-hydroxy-5-nitrophenyl)-2-methylpyridine-3-carboxamide
CID 103863225
2-(3,5-dimethylphenoxy)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 17342415
N'-acetyl-2-hydroxy-5-nitrobenzohydrazide
CID 102383620
2-bromo-5-nitroaniline;N-(2-bromo-5-nitrophenyl)acetamide
CID 87757887
N-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]-3-nitrobenzamide
CID 7927265
acetic acid;bis(2,4-dinitrophenol)
CID 88801874

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]-5-methylphenyl]acetamide?
The IUPAC name of N-[2-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]-5-methylphenyl]acetamide (CID 135601372) is N-[2-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]-5-methylphenyl]acetamide.
What is the SMILES notation for N-[2-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]-5-methylphenyl]acetamide?
The canonical SMILES for N-[2-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]-5-methylphenyl]acetamide is CC(=O)Nc1cc(C)cc(/N=N/c2cc([N+](=O)[O-])ccc2O)c1O.
What is the InChIKey of N-[2-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]-5-methylphenyl]acetamide?
The InChIKey is FALQNKUJCMXVBL-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H14N4O5/c1-8-5-12(16-9(2)20)15(22)13(6-8)18-17-11-7-10(19(23)24)3-4-14(11)21/h3-7,21-22H,1-2H3,(H,16,20)/b18-17+.
What are the key properties of N-[2-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]-5-methylphenyl]acetamide?
N-[2-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]-5-methylphenyl]acetamide has a molecular weight of 330.30 g/mol, XLogP of 3.69, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]-5-methylphenyl]acetamide is sourced from PubChem (CID 135601372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).