sodium 2-acetamidobenzoate

C9H8NNaO3 — CID 23702638

IUPACsodium 2-acetamidobenzoate
SMILESCC(=O)Nc1ccccc1C(=O)[O-].[Na+]
InChIInChI=1S/C9H9NO3.Na/c1-6(11)10-8-5-3-2-4-7(8)9(12)13;/h2-5H,1H3,(H,10,11)(H,12,13);/q;+1/p-1
InChIKeyAPMVQZYXLHWCLT-UHFFFAOYSA-M
MW201.16 g/mol
LogP-2.99
Rot. Bonds2

About sodium 2-acetamidobenzoate

sodium 2-acetamidobenzoate (PubChem CID 23702638) has the molecular formula C9H8NNaO3 and a molecular weight of 201.16 g/mol. Its IUPAC name is sodium 2-acetamidobenzoate.

Molecular Properties

Compound Namesodium 2-acetamidobenzoate
PubChem CID23702638
Molecular FormulaC9H8NNaO3
Molecular Weight201.16 g/mol
Exact Mass201.04
IUPAC Namesodium 2-acetamidobenzoate
SMILESCC(=O)Nc1ccccc1C(=O)[O-].[Na+]
InChIInChI=1S/C9H9NO3.Na/c1-6(11)10-8-5-3-2-4-7(8)9(12)13;/h2-5H,1H3,(H,10,11)(H,12,13);/q;+1/p-1
InChIKeyAPMVQZYXLHWCLT-UHFFFAOYSA-M
XLogP-2.99
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.16
LogP ≤ 5-2.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamidobenzoyl chloride
CID 12520814
CID 170843062
CID 170843062
2-[[(E)-1-hydroxybut-2-en-2-yl]amino]benzoate
CID 45089232
zinc bis(2-benzamidobenzoate)
CID 67586546
2-[(2-sulfanylacetyl)amino]benzoate
CID 59656799
N-[2-(cyclopropanecarbonyl)phenyl]acetamide
CID 102044050
2-[[(2R)-2-methylbutanoyl]amino]benzoate
CID 6978566
3-acetamido-2-nitrobenzoate
CID 7154741
N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]acetamide
CID 71323651
2-[(4-acetamidophenyl)sulfonylamino]benzoate
CID 7040069
2-[[3-(ethylamino)-3-oxopropanoyl]amino]benzoate
CID 3574858
2-[(2-methylfuran-3-carbonyl)amino]benzoate
CID 2225644

Frequently Asked Questions

What is the IUPAC name of sodium 2-acetamidobenzoate?
The IUPAC name of sodium 2-acetamidobenzoate (CID 23702638) is sodium 2-acetamidobenzoate.
What is the SMILES notation for sodium 2-acetamidobenzoate?
The canonical SMILES for sodium 2-acetamidobenzoate is CC(=O)Nc1ccccc1C(=O)[O-].[Na+].
What is the InChIKey of sodium 2-acetamidobenzoate?
The InChIKey is APMVQZYXLHWCLT-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H9NO3.Na/c1-6(11)10-8-5-3-2-4-7(8)9(12)13;/h2-5H,1H3,(H,10,11)(H,12,13);/q;+1/p-1.
What are the key properties of sodium 2-acetamidobenzoate?
sodium 2-acetamidobenzoate has a molecular weight of 201.16 g/mol, XLogP of -2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-acetamidobenzoate is sourced from PubChem (CID 23702638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).