2-benzamidobenzoate

C14H10NO3- — CID 5091716

IUPAC2-benzamidobenzoate
SMILESO=C(Nc1ccccc1C(=O)[O-])c1ccccc1
InChIInChI=1S/C14H11NO3/c16-13(10-6-2-1-3-7-10)15-12-9-5-4-8-11(12)14(17)18/h1-9H,(H,15,16)(H,17,18)/p-1
InChIKeyWXVLIIDDWFGYCV-UHFFFAOYSA-M
MW240.24 g/mol
LogP1.30
Rot. Bonds3

About 2-benzamidobenzoate

2-benzamidobenzoate (PubChem CID 5091716) has the molecular formula C14H10NO3- and a molecular weight of 240.24 g/mol. Its IUPAC name is 2-benzamidobenzoate.

Molecular Properties

Compound Name2-benzamidobenzoate
PubChem CID5091716
Molecular FormulaC14H10NO3-
Molecular Weight240.24 g/mol
Exact Mass240.07
IUPAC Name2-benzamidobenzoate
SMILESO=C(Nc1ccccc1C(=O)[O-])c1ccccc1
InChIInChI=1S/C14H11NO3/c16-13(10-6-2-1-3-7-10)15-12-9-5-4-8-11(12)14(17)18/h1-9H,(H,15,16)(H,17,18)/p-1
InChIKeyWXVLIIDDWFGYCV-UHFFFAOYSA-M
XLogP1.30
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzamidobenzoate?
The IUPAC name of 2-benzamidobenzoate (CID 5091716) is 2-benzamidobenzoate.
What is the SMILES notation for 2-benzamidobenzoate?
The canonical SMILES for 2-benzamidobenzoate is O=C(Nc1ccccc1C(=O)[O-])c1ccccc1.
What is the InChIKey of 2-benzamidobenzoate?
The InChIKey is WXVLIIDDWFGYCV-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H11NO3/c16-13(10-6-2-1-3-7-10)15-12-9-5-4-8-11(12)14(17)18/h1-9H,(H,15,16)(H,17,18)/p-1.
What are the key properties of 2-benzamidobenzoate?
2-benzamidobenzoate has a molecular weight of 240.24 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamidobenzoate is sourced from PubChem (CID 5091716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).