5-hydroxy-2-[[2-(4-nitrophenoxy)acetyl]amino]benzoic acid

C15H12N2O7 — CID 759752

IUPAC5-hydroxy-2-[[2-(4-nitrophenoxy)acetyl]amino]benzoic acid
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C15H12N2O7/c18-10-3-6-13(12(7-10)15(20)21)16-14(19)8-24-11-4-1-9(2-5-11)17(22)23/h1-7,18H,8H2,(H,16,19)(H,20,21)
InChIKeyFHHCNAUXXNYHGZ-UHFFFAOYSA-N
MW332.27 g/mol
LogP2.02
Rot. Bonds6

About 5-hydroxy-2-[[2-(4-nitrophenoxy)acetyl]amino]benzoic acid

5-hydroxy-2-[[2-(4-nitrophenoxy)acetyl]amino]benzoic acid (PubChem CID 759752) has the molecular formula C15H12N2O7 and a molecular weight of 332.27 g/mol. Its IUPAC name is 5-hydroxy-2-[[2-(4-nitrophenoxy)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name5-hydroxy-2-[[2-(4-nitrophenoxy)acetyl]amino]benzoic acid
PubChem CID759752
Molecular FormulaC15H12N2O7
Molecular Weight332.27 g/mol
Exact Mass332.06
IUPAC Name5-hydroxy-2-[[2-(4-nitrophenoxy)acetyl]amino]benzoic acid
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C15H12N2O7/c18-10-3-6-13(12(7-10)15(20)21)16-14(19)8-24-11-4-1-9(2-5-11)17(22)23/h1-7,18H,8H2,(H,16,19)(H,20,21)
InChIKeyFHHCNAUXXNYHGZ-UHFFFAOYSA-N
XLogP2.02
TPSA139.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.27
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-hydroxy-2-[[2-(4-nitrophenoxy)acetyl]amino]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-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
CID 717631
N-(2-benzoylphenyl)-2-(4-nitrophenoxy)acetamide
CID 7816683
5-hydroxy-2-[(4-nitrobenzoyl)amino]benzoic acid
CID 4982404
5-hydroxy-2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]benzoic acid
CID 17296562
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
N-(4-anilinophenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
CID 4942017
2-(4-nitrophenoxy)-N-phenylacetamide
CID 923397
2-[[2-(3-nitrophenoxy)acetyl]amino]benzoic acid
CID 877684
N-(2-chloro-4-nitrophenyl)-2-(4-chlorophenoxy)acetamide
CID 2832007
N-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632332
N-(2-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2787243
5-nitro-2-[(2-propoxyacetyl)amino]benzoic acid
CID 107937682

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[[2-(4-nitrophenoxy)acetyl]amino]benzoic acid?
The IUPAC name of 5-hydroxy-2-[[2-(4-nitrophenoxy)acetyl]amino]benzoic acid (CID 759752) is 5-hydroxy-2-[[2-(4-nitrophenoxy)acetyl]amino]benzoic acid.
What is the SMILES notation for 5-hydroxy-2-[[2-(4-nitrophenoxy)acetyl]amino]benzoic acid?
The canonical SMILES for 5-hydroxy-2-[[2-(4-nitrophenoxy)acetyl]amino]benzoic acid is O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(O)cc1C(=O)O.
What is the InChIKey of 5-hydroxy-2-[[2-(4-nitrophenoxy)acetyl]amino]benzoic acid?
The InChIKey is FHHCNAUXXNYHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O7/c18-10-3-6-13(12(7-10)15(20)21)16-14(19)8-24-11-4-1-9(2-5-11)17(22)23/h1-7,18H,8H2,(H,16,19)(H,20,21).
What are the key properties of 5-hydroxy-2-[[2-(4-nitrophenoxy)acetyl]amino]benzoic acid?
5-hydroxy-2-[[2-(4-nitrophenoxy)acetyl]amino]benzoic acid has a molecular weight of 332.27 g/mol, XLogP of 2.02, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[[2-(4-nitrophenoxy)acetyl]amino]benzoic acid is sourced from PubChem (CID 759752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).