5-chloro-2-hydroxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide

C19H14ClN3O2 — CID 3535980

IUPAC5-chloro-2-hydroxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide
SMILESO=C(NN=C(c1ccccc1)c1ccncc1)c1cc(Cl)ccc1O
InChIInChI=1S/C19H14ClN3O2/c20-15-6-7-17(24)16(12-15)19(25)23-22-18(13-4-2-1-3-5-13)14-8-10-21-11-9-14/h1-12,24H,(H,23,25)
InChIKeyXARBWKJJMUHUNP-UHFFFAOYSA-N
MW351.79 g/mol
LogP3.62
Rot. Bonds4

About 5-chloro-2-hydroxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide

5-chloro-2-hydroxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide (PubChem CID 3535980) has the molecular formula C19H14ClN3O2 and a molecular weight of 351.79 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide
PubChem CID3535980
Molecular FormulaC19H14ClN3O2
Molecular Weight351.79 g/mol
Exact Mass351.08
IUPAC Name5-chloro-2-hydroxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide
SMILESO=C(NN=C(c1ccccc1)c1ccncc1)c1cc(Cl)ccc1O
InChIInChI=1S/C19H14ClN3O2/c20-15-6-7-17(24)16(12-15)19(25)23-22-18(13-4-2-1-3-5-13)14-8-10-21-11-9-14/h1-12,24H,(H,23,25)
InChIKeyXARBWKJJMUHUNP-UHFFFAOYSA-N
XLogP3.62
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide (CID 3535980) is 5-chloro-2-hydroxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide is O=C(NN=C(c1ccccc1)c1ccncc1)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-2-hydroxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide?
The InChIKey is XARBWKJJMUHUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O2/c20-15-6-7-17(24)16(12-15)19(25)23-22-18(13-4-2-1-3-5-13)14-8-10-21-11-9-14/h1-12,24H,(H,23,25).
What are the key properties of 5-chloro-2-hydroxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide?
5-chloro-2-hydroxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide has a molecular weight of 351.79 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide is sourced from PubChem (CID 3535980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).