sodium 2-(naphthalen-1-ylcarbamoyl)benzoate

C18H12NNaO3 — CID 23690427

IUPACsodium 2-(naphthalen-1-ylcarbamoyl)benzoate
SMILESO=C([O-])c1ccccc1C(=O)Nc1cccc2ccccc12.[Na+]
InChIInChI=1S/C18H13NO3.Na/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16;/h1-11H,(H,19,20)(H,21,22);/q;+1/p-1
InChIKeyCLHHSSXFXYAXDB-UHFFFAOYSA-M
MW313.29 g/mol
LogP-0.54
Rot. Bonds3

About sodium 2-(naphthalen-1-ylcarbamoyl)benzoate

sodium 2-(naphthalen-1-ylcarbamoyl)benzoate (PubChem CID 23690427) has the molecular formula C18H12NNaO3 and a molecular weight of 313.29 g/mol. Its IUPAC name is sodium 2-(naphthalen-1-ylcarbamoyl)benzoate.

Molecular Properties

Compound Namesodium 2-(naphthalen-1-ylcarbamoyl)benzoate
PubChem CID23690427
Molecular FormulaC18H12NNaO3
Molecular Weight313.29 g/mol
Exact Mass313.07
IUPAC Namesodium 2-(naphthalen-1-ylcarbamoyl)benzoate
SMILESO=C([O-])c1ccccc1C(=O)Nc1cccc2ccccc12.[Na+]
InChIInChI=1S/C18H13NO3.Na/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16;/h1-11H,(H,19,20)(H,21,22);/q;+1/p-1
InChIKeyCLHHSSXFXYAXDB-UHFFFAOYSA-M
XLogP-0.54
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium 2-(naphthalen-1-ylcarbamoyl)benzoate?
The IUPAC name of sodium 2-(naphthalen-1-ylcarbamoyl)benzoate (CID 23690427) is sodium 2-(naphthalen-1-ylcarbamoyl)benzoate.
What is the SMILES notation for sodium 2-(naphthalen-1-ylcarbamoyl)benzoate?
The canonical SMILES for sodium 2-(naphthalen-1-ylcarbamoyl)benzoate is O=C([O-])c1ccccc1C(=O)Nc1cccc2ccccc12.[Na+].
What is the InChIKey of sodium 2-(naphthalen-1-ylcarbamoyl)benzoate?
The InChIKey is CLHHSSXFXYAXDB-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H13NO3.Na/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16;/h1-11H,(H,19,20)(H,21,22);/q;+1/p-1.
What are the key properties of sodium 2-(naphthalen-1-ylcarbamoyl)benzoate?
sodium 2-(naphthalen-1-ylcarbamoyl)benzoate has a molecular weight of 313.29 g/mol, XLogP of -0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(naphthalen-1-ylcarbamoyl)benzoate is sourced from PubChem (CID 23690427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).