sodium 4-[(4-chlorobenzoyl)amino]benzoate

C14H9ClNNaO3 — CID 91864525

IUPACsodium 4-[(4-chlorobenzoyl)amino]benzoate
SMILESO=C([O-])c1ccc(NC(=O)c2ccc(Cl)cc2)cc1.[Na+]
InChIInChI=1S/C14H10ClNO3.Na/c15-11-5-1-9(2-6-11)13(17)16-12-7-3-10(4-8-12)14(18)19;/h1-8H,(H,16,17)(H,18,19);/q;+1/p-1
InChIKeyULAOTXGPBXVROI-UHFFFAOYSA-M
MW297.67 g/mol
LogP-1.04
Rot. Bonds3

About sodium 4-[(4-chlorobenzoyl)amino]benzoate

sodium 4-[(4-chlorobenzoyl)amino]benzoate (PubChem CID 91864525) has the molecular formula C14H9ClNNaO3 and a molecular weight of 297.67 g/mol. Its IUPAC name is sodium 4-[(4-chlorobenzoyl)amino]benzoate.

Molecular Properties

Compound Namesodium 4-[(4-chlorobenzoyl)amino]benzoate
PubChem CID91864525
Molecular FormulaC14H9ClNNaO3
Molecular Weight297.67 g/mol
Exact Mass297.02
IUPAC Namesodium 4-[(4-chlorobenzoyl)amino]benzoate
SMILESO=C([O-])c1ccc(NC(=O)c2ccc(Cl)cc2)cc1.[Na+]
InChIInChI=1S/C14H10ClNO3.Na/c15-11-5-1-9(2-6-11)13(17)16-12-7-3-10(4-8-12)14(18)19;/h1-8H,(H,16,17)(H,18,19);/q;+1/p-1
InChIKeyULAOTXGPBXVROI-UHFFFAOYSA-M
XLogP-1.04
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.67
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium 4-[(4-chlorobenzoyl)amino]benzoate?
The IUPAC name of sodium 4-[(4-chlorobenzoyl)amino]benzoate (CID 91864525) is sodium 4-[(4-chlorobenzoyl)amino]benzoate.
What is the SMILES notation for sodium 4-[(4-chlorobenzoyl)amino]benzoate?
The canonical SMILES for sodium 4-[(4-chlorobenzoyl)amino]benzoate is O=C([O-])c1ccc(NC(=O)c2ccc(Cl)cc2)cc1.[Na+].
What is the InChIKey of sodium 4-[(4-chlorobenzoyl)amino]benzoate?
The InChIKey is ULAOTXGPBXVROI-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H10ClNO3.Na/c15-11-5-1-9(2-6-11)13(17)16-12-7-3-10(4-8-12)14(18)19;/h1-8H,(H,16,17)(H,18,19);/q;+1/p-1.
What are the key properties of sodium 4-[(4-chlorobenzoyl)amino]benzoate?
sodium 4-[(4-chlorobenzoyl)amino]benzoate has a molecular weight of 297.67 g/mol, XLogP of -1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-[(4-chlorobenzoyl)amino]benzoate is sourced from PubChem (CID 91864525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).