2-[[C-acetyl-N-(2-hydroxyanilino)carbonimidoyl]diazenyl]benzoic acid

C16H14N4O4 — CID 137207526

IUPAC2-[[C-acetyl-N-(2-hydroxyanilino)carbonimidoyl]diazenyl]benzoic acid
SMILESCC(=O)C(=NNc1ccccc1O)/N=N/c1ccccc1C(=O)O
InChIInChI=1S/C16H14N4O4/c1-10(21)15(20-18-13-8-4-5-9-14(13)22)19-17-12-7-3-2-6-11(12)16(23)24/h2-9,18,22H,1H3,(H,23,24)/b19-17+,20-15?
InChIKeySYNJSTHKAIUVEN-FVOLSGMXSA-N
MW326.31 g/mol
LogP3.19
Rot. Bonds5

About 2-[[C-acetyl-N-(2-hydroxyanilino)carbonimidoyl]diazenyl]benzoic acid

2-[[C-acetyl-N-(2-hydroxyanilino)carbonimidoyl]diazenyl]benzoic acid (PubChem CID 137207526) has the molecular formula C16H14N4O4 and a molecular weight of 326.31 g/mol. Its IUPAC name is 2-[[C-acetyl-N-(2-hydroxyanilino)carbonimidoyl]diazenyl]benzoic acid.

Molecular Properties

Compound Name2-[[C-acetyl-N-(2-hydroxyanilino)carbonimidoyl]diazenyl]benzoic acid
PubChem CID137207526
Molecular FormulaC16H14N4O4
Molecular Weight326.31 g/mol
Exact Mass326.10
IUPAC Name2-[[C-acetyl-N-(2-hydroxyanilino)carbonimidoyl]diazenyl]benzoic acid
SMILESCC(=O)C(=NNc1ccccc1O)/N=N/c1ccccc1C(=O)O
InChIInChI=1S/C16H14N4O4/c1-10(21)15(20-18-13-8-4-5-9-14(13)22)19-17-12-7-3-2-6-11(12)16(23)24/h2-9,18,22H,1H3,(H,23,24)/b19-17+,20-15?
InChIKeySYNJSTHKAIUVEN-FVOLSGMXSA-N
XLogP3.19
TPSA123.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[[C-acetyl-N-(2-hydroxyanilino)carbonimidoyl]diazenyl]benzoic acid 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

2-[(2Z)-2-[2-amino-1-[(2-carboxyphenyl)diazenyl]-2-oxoethylidene]hydrazinyl]benzoic acid
CID 6069703
CID 162394261
CID 162394261
2-[[C-acetyl-N-(2-carboxyphenyl)carbonimidoyl]amino]benzoic acid
CID 46708443
2-[(2E)-2-[[(2-carboxyphenyl)diazenyl]-quinolin-4-ylmethylidene]hydrazinyl]benzoic acid
CID 5358953
[[[(2-carboxyphenyl)diazenyl]-phenylmethylidene]amino]-(2-hydroxyphenyl)azanide;copper(1+);ethane
CID 169424989
2-[(2E)-2-[1-(5-bromo-2-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid
CID 154810516
2-[(2E)-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylidene]hydrazinyl]benzoic acid
CID 95765462
copper;ethane;formaldehyde;bis(N-(2-formylphenyl)imino-N'-(2-hydroxyanilino)benzenecarboximidamide);N'-(2-hydroxyanilino)-N-(2-hydroxyphenyl)iminobenzenecarboximidamide
CID 172965773
2-[[4-(methylamino)phenyl]diazenyl]benzoic acid
CID 13038165
4-(4-carboxyanilino)-3-[(2-carboxyphenyl)diazenyl]-4-oxobut-2-en-2-olate
CID 152777341
2-[[(E)-N-anilino-C-decylsulfanylcarbonimidoyl]diazenyl]benzoic acid
CID 102243992
2-hydroxybenzoic acid;methyl acetate
CID 157381538

Frequently Asked Questions

What is the IUPAC name of 2-[[C-acetyl-N-(2-hydroxyanilino)carbonimidoyl]diazenyl]benzoic acid?
The IUPAC name of 2-[[C-acetyl-N-(2-hydroxyanilino)carbonimidoyl]diazenyl]benzoic acid (CID 137207526) is 2-[[C-acetyl-N-(2-hydroxyanilino)carbonimidoyl]diazenyl]benzoic acid.
What is the SMILES notation for 2-[[C-acetyl-N-(2-hydroxyanilino)carbonimidoyl]diazenyl]benzoic acid?
The canonical SMILES for 2-[[C-acetyl-N-(2-hydroxyanilino)carbonimidoyl]diazenyl]benzoic acid is CC(=O)C(=NNc1ccccc1O)/N=N/c1ccccc1C(=O)O.
What is the InChIKey of 2-[[C-acetyl-N-(2-hydroxyanilino)carbonimidoyl]diazenyl]benzoic acid?
The InChIKey is SYNJSTHKAIUVEN-FVOLSGMXSA-N. The full InChI is InChI=1S/C16H14N4O4/c1-10(21)15(20-18-13-8-4-5-9-14(13)22)19-17-12-7-3-2-6-11(12)16(23)24/h2-9,18,22H,1H3,(H,23,24)/b19-17+,20-15?.
What are the key properties of 2-[[C-acetyl-N-(2-hydroxyanilino)carbonimidoyl]diazenyl]benzoic acid?
2-[[C-acetyl-N-(2-hydroxyanilino)carbonimidoyl]diazenyl]benzoic acid has a molecular weight of 326.31 g/mol, XLogP of 3.19, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[C-acetyl-N-(2-hydroxyanilino)carbonimidoyl]diazenyl]benzoic acid is sourced from PubChem (CID 137207526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).