5-chloro-2-[(3-pyridin-4-ylbenzoyl)amino]benzoic acid

C19H13ClN2O3 — CID 66679803

IUPAC5-chloro-2-[(3-pyridin-4-ylbenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccc(Cl)cc1C(=O)O)c1cccc(-c2ccncc2)c1
InChIInChI=1S/C19H13ClN2O3/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)
InChIKeyLZFVVLNURQTGEB-UHFFFAOYSA-N
MW352.78 g/mol
LogP4.35
Rot. Bonds4

About 5-chloro-2-[(3-pyridin-4-ylbenzoyl)amino]benzoic acid

5-chloro-2-[(3-pyridin-4-ylbenzoyl)amino]benzoic acid (PubChem CID 66679803) has the molecular formula C19H13ClN2O3 and a molecular weight of 352.78 g/mol. Its IUPAC name is 5-chloro-2-[(3-pyridin-4-ylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-[(3-pyridin-4-ylbenzoyl)amino]benzoic acid
PubChem CID66679803
Molecular FormulaC19H13ClN2O3
Molecular Weight352.78 g/mol
Exact Mass352.06
IUPAC Name5-chloro-2-[(3-pyridin-4-ylbenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccc(Cl)cc1C(=O)O)c1cccc(-c2ccncc2)c1
InChIInChI=1S/C19H13ClN2O3/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)
InChIKeyLZFVVLNURQTGEB-UHFFFAOYSA-N
XLogP4.35
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(3-pyridin-4-ylbenzoyl)amino]benzoic acid?
The IUPAC name of 5-chloro-2-[(3-pyridin-4-ylbenzoyl)amino]benzoic acid (CID 66679803) is 5-chloro-2-[(3-pyridin-4-ylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 5-chloro-2-[(3-pyridin-4-ylbenzoyl)amino]benzoic acid?
The canonical SMILES for 5-chloro-2-[(3-pyridin-4-ylbenzoyl)amino]benzoic acid is O=C(Nc1ccc(Cl)cc1C(=O)O)c1cccc(-c2ccncc2)c1.
What is the InChIKey of 5-chloro-2-[(3-pyridin-4-ylbenzoyl)amino]benzoic acid?
The InChIKey is LZFVVLNURQTGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O3/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).
What are the key properties of 5-chloro-2-[(3-pyridin-4-ylbenzoyl)amino]benzoic acid?
5-chloro-2-[(3-pyridin-4-ylbenzoyl)amino]benzoic acid has a molecular weight of 352.78 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(3-pyridin-4-ylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 66679803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).