2,4-dichloro-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide

C19H13Cl2N3O — CID 3429251

IUPAC2,4-dichloro-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide
SMILESO=C(NN=C(c1ccccc1)c1ccncc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H13Cl2N3O/c20-15-6-7-16(17(21)12-15)19(25)24-23-18(13-4-2-1-3-5-13)14-8-10-22-11-9-14/h1-12H,(H,24,25)
InChIKeyBSVGBWGXDKGPIM-UHFFFAOYSA-N
MW370.24 g/mol
LogP4.57
Rot. Bonds4

About 2,4-dichloro-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide

2,4-dichloro-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide (PubChem CID 3429251) has the molecular formula C19H13Cl2N3O and a molecular weight of 370.24 g/mol. Its IUPAC name is 2,4-dichloro-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide
PubChem CID3429251
Molecular FormulaC19H13Cl2N3O
Molecular Weight370.24 g/mol
Exact Mass369.04
IUPAC Name2,4-dichloro-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide
SMILESO=C(NN=C(c1ccccc1)c1ccncc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H13Cl2N3O/c20-15-6-7-16(17(21)12-15)19(25)24-23-18(13-4-2-1-3-5-13)14-8-10-22-11-9-14/h1-12H,(H,24,25)
InChIKeyBSVGBWGXDKGPIM-UHFFFAOYSA-N
XLogP4.57
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2,4-dichloro-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide?
The IUPAC name of 2,4-dichloro-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide (CID 3429251) is 2,4-dichloro-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide?
The canonical SMILES for 2,4-dichloro-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide is O=C(NN=C(c1ccccc1)c1ccncc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide?
The InChIKey is BSVGBWGXDKGPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3O/c20-15-6-7-16(17(21)12-15)19(25)24-23-18(13-4-2-1-3-5-13)14-8-10-22-11-9-14/h1-12H,(H,24,25).
What are the key properties of 2,4-dichloro-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide?
2,4-dichloro-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide has a molecular weight of 370.24 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide is sourced from PubChem (CID 3429251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).