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

C19H14BrN3O — CID 4524840

IUPAC4-bromo-N-[[phenyl(pyridin-3-yl)methylidene]amino]benzamide
SMILESO=C(NN=C(c1ccccc1)c1cccnc1)c1ccc(Br)cc1
InChIInChI=1S/C19H14BrN3O/c20-17-10-8-15(9-11-17)19(24)23-22-18(14-5-2-1-3-6-14)16-7-4-12-21-13-16/h1-13H,(H,23,24)
InChIKeyZTLMNYCZZGSGLI-UHFFFAOYSA-N
MW380.25 g/mol
LogP4.03
Rot. Bonds4

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

4-bromo-N-[[phenyl(pyridin-3-yl)methylidene]amino]benzamide (PubChem CID 4524840) has the molecular formula C19H14BrN3O and a molecular weight of 380.25 g/mol. Its IUPAC name is 4-bromo-N-[[phenyl(pyridin-3-yl)methylidene]amino]benzamide.

Molecular Properties

Compound Name4-bromo-N-[[phenyl(pyridin-3-yl)methylidene]amino]benzamide
PubChem CID4524840
Molecular FormulaC19H14BrN3O
Molecular Weight380.25 g/mol
Exact Mass379.03
IUPAC Name4-bromo-N-[[phenyl(pyridin-3-yl)methylidene]amino]benzamide
SMILESO=C(NN=C(c1ccccc1)c1cccnc1)c1ccc(Br)cc1
InChIInChI=1S/C19H14BrN3O/c20-17-10-8-15(9-11-17)19(24)23-22-18(14-5-2-1-3-6-14)16-7-4-12-21-13-16/h1-13H,(H,23,24)
InChIKeyZTLMNYCZZGSGLI-UHFFFAOYSA-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

4-hydroxy-N-[[phenyl(pyridin-3-yl)methylidene]amino]benzamide
CID 5058601
2-hydroxy-N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]benzamide
CID 6263609
N-[[(4-bromophenyl)-phenylmethylidene]amino]-4-methoxybenzamide
CID 2288457
3-methyl-4-nitro-N-[[phenyl(pyridin-3-yl)methylidene]amino]benzamide
CID 3726967
3-bromo-N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 6872195
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
cis-(1R,2S)-2-phenyl-N-[(Z)-[phenyl(pyridin-3-yl)methylidene]amino]cyclopropane-1-carboxamide
CID 40573364
(4E)-4-[(4-bromobenzoyl)hydrazinylidene]-4-phenylbutanoic acid
CID 6391991
N-[1-(4-tert-butylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4836871
N-[(Z)-[(Z)-3-(4-bromophenyl)prop-2-enylidene]amino]pyridine-3-carboxamide
CID 7315708
N'-(4-bromobenzoyl)-4-pyridin-3-ylbenzohydrazide
CID 58858311

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[phenyl(pyridin-3-yl)methylidene]amino]benzamide?
The IUPAC name of 4-bromo-N-[[phenyl(pyridin-3-yl)methylidene]amino]benzamide (CID 4524840) is 4-bromo-N-[[phenyl(pyridin-3-yl)methylidene]amino]benzamide.
What is the SMILES notation for 4-bromo-N-[[phenyl(pyridin-3-yl)methylidene]amino]benzamide?
The canonical SMILES for 4-bromo-N-[[phenyl(pyridin-3-yl)methylidene]amino]benzamide is O=C(NN=C(c1ccccc1)c1cccnc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[[phenyl(pyridin-3-yl)methylidene]amino]benzamide?
The InChIKey is ZTLMNYCZZGSGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN3O/c20-17-10-8-15(9-11-17)19(24)23-22-18(14-5-2-1-3-6-14)16-7-4-12-21-13-16/h1-13H,(H,23,24).
What are the key properties of 4-bromo-N-[[phenyl(pyridin-3-yl)methylidene]amino]benzamide?
4-bromo-N-[[phenyl(pyridin-3-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 4-bromo-N-[[phenyl(pyridin-3-yl)methylidene]amino]benzamide is sourced from PubChem (CID 4524840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).