sodium 5-chloro-2-[(3-pyridin-4-ylbenzoyl)amino]benzoate

C19H12ClN2NaO3 — CID 66679802

IUPACsodium 5-chloro-2-[(3-pyridin-4-ylbenzoyl)amino]benzoate
SMILESO=C(Nc1ccc(Cl)cc1C(=O)[O-])c1cccc(-c2ccncc2)c1.[Na+]
InChIInChI=1S/C19H13ClN2O3.Na/c20-15-4-5-17(16(11-15)19(24)25)22-18(23)14-3-1-2-13(10-14)12-6-8-21-9-7-12;/h1-11H,(H,22,23)(H,24,25);/q;+1/p-1
InChIKeyOBVZORUOTOHWLI-UHFFFAOYSA-M
MW374.76 g/mol
LogP0.02
Rot. Bonds4

About sodium 5-chloro-2-[(3-pyridin-4-ylbenzoyl)amino]benzoate

sodium 5-chloro-2-[(3-pyridin-4-ylbenzoyl)amino]benzoate (PubChem CID 66679802) has the molecular formula C19H12ClN2NaO3 and a molecular weight of 374.76 g/mol. Its IUPAC name is sodium 5-chloro-2-[(3-pyridin-4-ylbenzoyl)amino]benzoate.

Molecular Properties

Compound Namesodium 5-chloro-2-[(3-pyridin-4-ylbenzoyl)amino]benzoate
PubChem CID66679802
Molecular FormulaC19H12ClN2NaO3
Molecular Weight374.76 g/mol
Exact Mass374.04
IUPAC Namesodium 5-chloro-2-[(3-pyridin-4-ylbenzoyl)amino]benzoate
SMILESO=C(Nc1ccc(Cl)cc1C(=O)[O-])c1cccc(-c2ccncc2)c1.[Na+]
InChIInChI=1S/C19H13ClN2O3.Na/c20-15-4-5-17(16(11-15)19(24)25)22-18(23)14-3-1-2-13(10-14)12-6-8-21-9-7-12;/h1-11H,(H,22,23)(H,24,25);/q;+1/p-1
InChIKeyOBVZORUOTOHWLI-UHFFFAOYSA-M
XLogP0.02
TPSA82.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.76
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium 5-chloro-2-[(3-pyridin-4-ylbenzoyl)amino]benzoate?
The IUPAC name of sodium 5-chloro-2-[(3-pyridin-4-ylbenzoyl)amino]benzoate (CID 66679802) is sodium 5-chloro-2-[(3-pyridin-4-ylbenzoyl)amino]benzoate.
What is the SMILES notation for sodium 5-chloro-2-[(3-pyridin-4-ylbenzoyl)amino]benzoate?
The canonical SMILES for sodium 5-chloro-2-[(3-pyridin-4-ylbenzoyl)amino]benzoate is O=C(Nc1ccc(Cl)cc1C(=O)[O-])c1cccc(-c2ccncc2)c1.[Na+].
What is the InChIKey of sodium 5-chloro-2-[(3-pyridin-4-ylbenzoyl)amino]benzoate?
The InChIKey is OBVZORUOTOHWLI-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H13ClN2O3.Na/c20-15-4-5-17(16(11-15)19(24)25)22-18(23)14-3-1-2-13(10-14)12-6-8-21-9-7-12;/h1-11H,(H,22,23)(H,24,25);/q;+1/p-1.
What are the key properties of sodium 5-chloro-2-[(3-pyridin-4-ylbenzoyl)amino]benzoate?
sodium 5-chloro-2-[(3-pyridin-4-ylbenzoyl)amino]benzoate has a molecular weight of 374.76 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-chloro-2-[(3-pyridin-4-ylbenzoyl)amino]benzoate is sourced from PubChem (CID 66679802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).