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

C16H14N2O7 — CID 17296562

IUPAC5-hydroxy-2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]benzoic acid
SMILESCc1ccc(OCC(=O)Nc2ccc(O)cc2C(=O)O)c([N+](=O)[O-])c1
InChIInChI=1S/C16H14N2O7/c1-9-2-5-14(13(6-9)18(23)24)25-8-15(20)17-12-4-3-10(19)7-11(12)16(21)22/h2-7,19H,8H2,1H3,(H,17,20)(H,21,22)
InChIKeyWBCRNZMLZGHSEB-UHFFFAOYSA-N
MW346.30 g/mol
LogP2.32
Rot. Bonds6

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

5-hydroxy-2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]benzoic acid (PubChem CID 17296562) has the molecular formula C16H14N2O7 and a molecular weight of 346.30 g/mol. Its IUPAC name is 5-hydroxy-2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name5-hydroxy-2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]benzoic acid
PubChem CID17296562
Molecular FormulaC16H14N2O7
Molecular Weight346.30 g/mol
Exact Mass346.08
IUPAC Name5-hydroxy-2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]benzoic acid
SMILESCc1ccc(OCC(=O)Nc2ccc(O)cc2C(=O)O)c([N+](=O)[O-])c1
InChIInChI=1S/C16H14N2O7/c1-9-2-5-14(13(6-9)18(23)24)25-8-15(20)17-12-4-3-10(19)7-11(12)16(21)22/h2-7,19H,8H2,1H3,(H,17,20)(H,21,22)
InChIKeyWBCRNZMLZGHSEB-UHFFFAOYSA-N
XLogP2.32
TPSA139.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.30
LogP ≤ 52.32
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'}

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Related Compounds

2-(4-methyl-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 8538741
N-(2-hydroxy-4-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 46663706
5-hydroxy-2-[[2-(4-nitrophenoxy)acetyl]amino]benzoic acid
CID 759752
N-(2-chloro-3-pyridinyl)-2-(4-methyl-2-nitrophenoxy)acetamide
CID 8560744
2-[[2-(2-acetyl-4,5-dimethylphenoxy)acetyl]amino]-5-hydroxybenzoic acid
CID 25026140
N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)acetamide
CID 8559480
N'-[1-(2-hydroxyphenyl)ethenyl]-2-(4-methyl-2-nitrophenoxy)acetohydrazide
CID 5155944
2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8562673
N-(2-chloro-4-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 2500579
2-(2-bromo-4-fluorophenoxy)-N-(4-methyl-2-nitrophenyl)acetamide
CID 34651329
propan-2-yl 4-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]benzoate
CID 8564217
2-(4-methyl-2-nitrophenoxy)acetamide
CID 8538614

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]benzoic acid?
The IUPAC name of 5-hydroxy-2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]benzoic acid (CID 17296562) is 5-hydroxy-2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]benzoic acid.
What is the SMILES notation for 5-hydroxy-2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]benzoic acid?
The canonical SMILES for 5-hydroxy-2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]benzoic acid is Cc1ccc(OCC(=O)Nc2ccc(O)cc2C(=O)O)c([N+](=O)[O-])c1.
What is the InChIKey of 5-hydroxy-2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]benzoic acid?
The InChIKey is WBCRNZMLZGHSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O7/c1-9-2-5-14(13(6-9)18(23)24)25-8-15(20)17-12-4-3-10(19)7-11(12)16(21)22/h2-7,19H,8H2,1H3,(H,17,20)(H,21,22).
What are the key properties of 5-hydroxy-2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]benzoic acid?
5-hydroxy-2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]benzoic acid has a molecular weight of 346.30 g/mol, XLogP of 2.32, 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-methyl-2-nitrophenoxy)acetyl]amino]benzoic acid is sourced from PubChem (CID 17296562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).