sodium 2-[2-(methylcarbamoyl)-3-phenylphenoxy]acetate

C16H14NNaO4 — CID 23684825

IUPACsodium 2-[2-(methylcarbamoyl)-3-phenylphenoxy]acetate
SMILESCNC(=O)c1c(OCC(=O)[O-])cccc1-c1ccccc1.[Na+]
InChIInChI=1S/C16H15NO4.Na/c1-17-16(20)15-12(11-6-3-2-4-7-11)8-5-9-13(15)21-10-14(18)19;/h2-9H,10H2,1H3,(H,17,20)(H,18,19);/q;+1/p-1
InChIKeyHASNHXSBVHIGQX-UHFFFAOYSA-M
MW307.28 g/mol
LogP-2.15
Rot. Bonds5

About sodium 2-[2-(methylcarbamoyl)-3-phenylphenoxy]acetate

sodium 2-[2-(methylcarbamoyl)-3-phenylphenoxy]acetate (PubChem CID 23684825) has the molecular formula C16H14NNaO4 and a molecular weight of 307.28 g/mol. Its IUPAC name is sodium 2-[2-(methylcarbamoyl)-3-phenylphenoxy]acetate.

Molecular Properties

Compound Namesodium 2-[2-(methylcarbamoyl)-3-phenylphenoxy]acetate
PubChem CID23684825
Molecular FormulaC16H14NNaO4
Molecular Weight307.28 g/mol
Exact Mass307.08
IUPAC Namesodium 2-[2-(methylcarbamoyl)-3-phenylphenoxy]acetate
SMILESCNC(=O)c1c(OCC(=O)[O-])cccc1-c1ccccc1.[Na+]
InChIInChI=1S/C16H15NO4.Na/c1-17-16(20)15-12(11-6-3-2-4-7-11)8-5-9-13(15)21-10-14(18)19;/h2-9H,10H2,1H3,(H,17,20)(H,18,19);/q;+1/p-1
InChIKeyHASNHXSBVHIGQX-UHFFFAOYSA-M
XLogP-2.15
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 5-2.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze sodium 2-[2-(methylcarbamoyl)-3-phenylphenoxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of sodium 2-[2-(methylcarbamoyl)-3-phenylphenoxy]acetate?
The IUPAC name of sodium 2-[2-(methylcarbamoyl)-3-phenylphenoxy]acetate (CID 23684825) is sodium 2-[2-(methylcarbamoyl)-3-phenylphenoxy]acetate.
What is the SMILES notation for sodium 2-[2-(methylcarbamoyl)-3-phenylphenoxy]acetate?
The canonical SMILES for sodium 2-[2-(methylcarbamoyl)-3-phenylphenoxy]acetate is CNC(=O)c1c(OCC(=O)[O-])cccc1-c1ccccc1.[Na+].
What is the InChIKey of sodium 2-[2-(methylcarbamoyl)-3-phenylphenoxy]acetate?
The InChIKey is HASNHXSBVHIGQX-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H15NO4.Na/c1-17-16(20)15-12(11-6-3-2-4-7-11)8-5-9-13(15)21-10-14(18)19;/h2-9H,10H2,1H3,(H,17,20)(H,18,19);/q;+1/p-1.
What are the key properties of sodium 2-[2-(methylcarbamoyl)-3-phenylphenoxy]acetate?
sodium 2-[2-(methylcarbamoyl)-3-phenylphenoxy]acetate has a molecular weight of 307.28 g/mol, XLogP of -2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[2-(methylcarbamoyl)-3-phenylphenoxy]acetate is sourced from PubChem (CID 23684825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).