4-bromo-N-[(4-bromophenyl)methylideneamino]benzamide

C14H10Br2N2O — CID 603280

IUPAC4-bromo-N-[(4-bromophenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C14H10Br2N2O/c15-12-5-1-10(2-6-12)9-17-18-14(19)11-3-7-13(16)8-4-11/h1-9H,(H,18,19)
InChIKeyZIQLTMYBZYBOSC-UHFFFAOYSA-N
MW382.06 g/mol
LogP3.98
Rot. Bonds3

About 4-bromo-N-[(4-bromophenyl)methylideneamino]benzamide

4-bromo-N-[(4-bromophenyl)methylideneamino]benzamide (PubChem CID 603280) has the molecular formula C14H10Br2N2O and a molecular weight of 382.06 g/mol. Its IUPAC name is 4-bromo-N-[(4-bromophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(4-bromophenyl)methylideneamino]benzamide
PubChem CID603280
Molecular FormulaC14H10Br2N2O
Molecular Weight382.06 g/mol
Exact Mass379.92
IUPAC Name4-bromo-N-[(4-bromophenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C14H10Br2N2O/c15-12-5-1-10(2-6-12)9-17-18-14(19)11-3-7-13(16)8-4-11/h1-9H,(H,18,19)
InChIKeyZIQLTMYBZYBOSC-UHFFFAOYSA-N
XLogP3.98
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.06
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-bromo-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 7768186
N-[(E)-(4-bromophenyl)methylideneamino]pyridine-4-carboxamide
CID 5332577
4-bromo-N-[(4-ethylphenyl)methylideneamino]benzamide
CID 725933
N-[(E)-(4-bromophenyl)methylideneamino]-1-methylpyridin-1-ium-4-carboxamide iodide
CID 5334007
N-[(E)-(4-bromophenyl)methylideneamino]-1-methylpyridin-1-ium-4-carboxamide;hydroiodide
CID 126957688
4-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 5373596
N-[(4-bromophenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 4925636
4-fluoro-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide
CID 5394348
4-fluoro-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide
CID 5333155
4-N-hydroxy-1-N-[(E)-[4-[4-[(E)-[[4-(hydroxycarbamoyl)benzoyl]hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]benzene-1,4-dicarboxamide
CID 135613044
N-[(Z)-(4-bromophenyl)methylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide
CID 126146513
4-[(4-bromobenzoyl)amino]-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide
CID 5457889

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(4-bromophenyl)methylideneamino]benzamide?
The IUPAC name of 4-bromo-N-[(4-bromophenyl)methylideneamino]benzamide (CID 603280) is 4-bromo-N-[(4-bromophenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-bromo-N-[(4-bromophenyl)methylideneamino]benzamide?
The canonical SMILES for 4-bromo-N-[(4-bromophenyl)methylideneamino]benzamide is O=C(NN=Cc1ccc(Br)cc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(4-bromophenyl)methylideneamino]benzamide?
The InChIKey is ZIQLTMYBZYBOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2N2O/c15-12-5-1-10(2-6-12)9-17-18-14(19)11-3-7-13(16)8-4-11/h1-9H,(H,18,19).
What are the key properties of 4-bromo-N-[(4-bromophenyl)methylideneamino]benzamide?
4-bromo-N-[(4-bromophenyl)methylideneamino]benzamide has a molecular weight of 382.06 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(4-bromophenyl)methylideneamino]benzamide is sourced from PubChem (CID 603280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).