lithium 4-benzamidobenzoate

C14H10LiNO3 — CID 134814676

IUPAClithium 4-benzamidobenzoate
SMILESO=C([O-])c1ccc(NC(=O)c2ccccc2)cc1.[Li+]
InChIInChI=1S/C14H11NO3.Li/c16-13(10-4-2-1-3-5-10)15-12-8-6-11(7-9-12)14(17)18;/h1-9H,(H,15,16)(H,17,18);/q;+1/p-1
InChIKeyBSHQZCXYHSQHRP-UHFFFAOYSA-M
MW247.18 g/mol
LogP-1.69
Rot. Bonds3

About lithium 4-benzamidobenzoate

lithium 4-benzamidobenzoate (PubChem CID 134814676) has the molecular formula C14H10LiNO3 and a molecular weight of 247.18 g/mol. Its IUPAC name is lithium 4-benzamidobenzoate.

Molecular Properties

Compound Namelithium 4-benzamidobenzoate
PubChem CID134814676
Molecular FormulaC14H10LiNO3
Molecular Weight247.18 g/mol
Exact Mass247.08
IUPAC Namelithium 4-benzamidobenzoate
SMILESO=C([O-])c1ccc(NC(=O)c2ccccc2)cc1.[Li+]
InChIInChI=1S/C14H11NO3.Li/c16-13(10-4-2-1-3-5-10)15-12-8-6-11(7-9-12)14(17)18;/h1-9H,(H,15,16)(H,17,18);/q;+1/p-1
InChIKeyBSHQZCXYHSQHRP-UHFFFAOYSA-M
XLogP-1.69
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.18
LogP ≤ 5-1.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of lithium 4-benzamidobenzoate?
The IUPAC name of lithium 4-benzamidobenzoate (CID 134814676) is lithium 4-benzamidobenzoate.
What is the SMILES notation for lithium 4-benzamidobenzoate?
The canonical SMILES for lithium 4-benzamidobenzoate is O=C([O-])c1ccc(NC(=O)c2ccccc2)cc1.[Li+].
What is the InChIKey of lithium 4-benzamidobenzoate?
The InChIKey is BSHQZCXYHSQHRP-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H11NO3.Li/c16-13(10-4-2-1-3-5-10)15-12-8-6-11(7-9-12)14(17)18;/h1-9H,(H,15,16)(H,17,18);/q;+1/p-1.
What are the key properties of lithium 4-benzamidobenzoate?
lithium 4-benzamidobenzoate has a molecular weight of 247.18 g/mol, XLogP of -1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4-benzamidobenzoate is sourced from PubChem (CID 134814676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).