3-bromo-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide

C14H12BrN3O — CID 5414676

IUPAC3-bromo-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1cccc(Br)c1)c1ccccn1
InChIInChI=1S/C14H12BrN3O/c1-10(13-7-2-3-8-16-13)17-18-14(19)11-5-4-6-12(15)9-11/h2-9H,1H3,(H,18,19)/b17-10-
InChIKeyGZJPBATWGXWPLE-YVLHZVERSA-N
MW318.17 g/mol
LogP3.00
Rot. Bonds3

About 3-bromo-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide

3-bromo-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide (PubChem CID 5414676) has the molecular formula C14H12BrN3O and a molecular weight of 318.17 g/mol. Its IUPAC name is 3-bromo-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
PubChem CID5414676
Molecular FormulaC14H12BrN3O
Molecular Weight318.17 g/mol
Exact Mass317.02
IUPAC Name3-bromo-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1cccc(Br)c1)c1ccccn1
InChIInChI=1S/C14H12BrN3O/c1-10(13-7-2-3-8-16-13)17-18-14(19)11-5-4-6-12(15)9-11/h2-9H,1H3,(H,18,19)/b17-10-
InChIKeyGZJPBATWGXWPLE-YVLHZVERSA-N
XLogP3.00
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 53.00
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-fluoro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 4180611
3-bromo-N-[(E)-1-(3-bromophenyl)ethylideneamino]benzamide
CID 19685670
3-nitro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 872063
3,4-dichloro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 773914
3,5-dimethoxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 9461008
3-bromo-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]benzamide
CID 5332759
3,5-dinitro-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 40532157
3-bromo-N-[1-(3-methylphenyl)ethylideneamino]benzamide
CID 3319660
3-bromobenzohydrazide;dipyridin-2-ylmethanone
CID 118467850
3-bromo-N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 6872195
3-[(3-chlorophenyl)sulfamoyl]-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 6236397
N-[(E)-1-[3-[(3-methylbenzoyl)amino]phenyl]ethylideneamino]pyridine-2-carboxamide
CID 17349528

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide?
The IUPAC name of 3-bromo-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide (CID 5414676) is 3-bromo-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide.
What is the SMILES notation for 3-bromo-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide?
The canonical SMILES for 3-bromo-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide is C/C(=N/NC(=O)c1cccc(Br)c1)c1ccccn1.
What is the InChIKey of 3-bromo-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide?
The InChIKey is GZJPBATWGXWPLE-YVLHZVERSA-N. The full InChI is InChI=1S/C14H12BrN3O/c1-10(13-7-2-3-8-16-13)17-18-14(19)11-5-4-6-12(15)9-11/h2-9H,1H3,(H,18,19)/b17-10-.
What are the key properties of 3-bromo-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide?
3-bromo-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide has a molecular weight of 318.17 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide is sourced from PubChem (CID 5414676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).