3-bromo-N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide

C19H14BrN3O — CID 6872195

IUPAC3-bromo-N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
SMILESO=C(N/N=C(/c1ccccc1)c1ccncc1)c1cccc(Br)c1
InChIInChI=1S/C19H14BrN3O/c20-17-8-4-7-16(13-17)19(24)23-22-18(14-5-2-1-3-6-14)15-9-11-21-12-10-15/h1-13H,(H,23,24)/b22-18-
InChIKeyVJOYLRYSJGPHLL-PYCFMQQDSA-N
MW380.25 g/mol
LogP4.03
Rot. Bonds4

About 3-bromo-N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide

3-bromo-N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide (PubChem CID 6872195) has the molecular formula C19H14BrN3O and a molecular weight of 380.25 g/mol. Its IUPAC name is 3-bromo-N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
PubChem CID6872195
Molecular FormulaC19H14BrN3O
Molecular Weight380.25 g/mol
Exact Mass379.03
IUPAC Name3-bromo-N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
SMILESO=C(N/N=C(/c1ccccc1)c1ccncc1)c1cccc(Br)c1
InChIInChI=1S/C19H14BrN3O/c20-17-8-4-7-16(13-17)19(24)23-22-18(14-5-2-1-3-6-14)15-9-11-21-12-10-15/h1-13H,(H,23,24)/b22-18-
InChIKeyVJOYLRYSJGPHLL-PYCFMQQDSA-N
XLogP4.03
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.25
LogP ≤ 54.03
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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Related Compounds

3-methyl-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 6522388
3-bromo-N-[(E)-pyridin-4-ylmethylideneamino]benzamide
CID 6870510
3-bromo-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 5414676
3,4,5-triethoxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 4105259
4-bromo-N-[[phenyl(pyridin-3-yl)methylidene]amino]benzamide
CID 4524840
N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]naphthalene-1-carboxamide
CID 7256390
N-benzoyl-3-bromobenzamide
CID 118577200
3-bromo-N-[(E)-1-(3-bromophenyl)ethylideneamino]benzamide
CID 19685670
3-bromo-N-pyridin-4-ylbenzamide
CID 4130300
4-nitro-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 5409143
4-nitro-N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 5409142
N-[(E)-[(2E)-1,2-diphenyl-2-(pyridine-4-carbonylhydrazinylidene)ethylidene]amino]pyridine-4-carboxamide
CID 46202828

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide?
The IUPAC name of 3-bromo-N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide (CID 6872195) is 3-bromo-N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide.
What is the SMILES notation for 3-bromo-N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide?
The canonical SMILES for 3-bromo-N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide is O=C(N/N=C(/c1ccccc1)c1ccncc1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide?
The InChIKey is VJOYLRYSJGPHLL-PYCFMQQDSA-N. The full InChI is InChI=1S/C19H14BrN3O/c20-17-8-4-7-16(13-17)19(24)23-22-18(14-5-2-1-3-6-14)15-9-11-21-12-10-15/h1-13H,(H,23,24)/b22-18-.
What are the key properties of 3-bromo-N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide?
3-bromo-N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide has a molecular weight of 380.25 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide is sourced from PubChem (CID 6872195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).