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

C16H15BrN2O — CID 725933

IUPAC4-bromo-N-[(4-ethylphenyl)methylideneamino]benzamide
SMILESCCc1ccc(C=NNC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H15BrN2O/c1-2-12-3-5-13(6-4-12)11-18-19-16(20)14-7-9-15(17)10-8-14/h3-11H,2H2,1H3,(H,19,20)
InChIKeyZVVIDRWXGZDCIS-UHFFFAOYSA-N
MW331.21 g/mol
LogP3.78
Rot. Bonds4

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

4-bromo-N-[(4-ethylphenyl)methylideneamino]benzamide (PubChem CID 725933) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is 4-bromo-N-[(4-ethylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(4-ethylphenyl)methylideneamino]benzamide
PubChem CID725933
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name4-bromo-N-[(4-ethylphenyl)methylideneamino]benzamide
SMILESCCc1ccc(C=NNC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H15BrN2O/c1-2-12-3-5-13(6-4-12)11-18-19-16(20)14-7-9-15(17)10-8-14/h3-11H,2H2,1H3,(H,19,20)
InChIKeyZVVIDRWXGZDCIS-UHFFFAOYSA-N
XLogP3.78
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 53.78
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-[(4-bromophenyl)methylideneamino]benzamide
CID 603280
N-[(E)-(4-ethylphenyl)methylideneamino]-4-hydroxybenzamide
CID 6906079
N-[(E)-(4-bromophenyl)methylideneamino]-2-(4-ethylphenyl)acetamide
CID 126368486
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
4-bromo-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 7768186
4-[(4-bromophenyl)methoxy]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 136845072
N-[(E)-(4-bromophenyl)methylideneamino]pyridine-4-carboxamide
CID 5332577
N-[(4-bromophenyl)methylideneamino]-4-hexoxybenzamide
CID 4930486
1-benzyl-N-[(E)-(4-bromophenyl)methylideneamino]pyridin-1-ium-4-carboxamide
CID 5334022
N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-chlorobenzamide
CID 21379709

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(4-ethylphenyl)methylideneamino]benzamide?
The IUPAC name of 4-bromo-N-[(4-ethylphenyl)methylideneamino]benzamide (CID 725933) is 4-bromo-N-[(4-ethylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-bromo-N-[(4-ethylphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-bromo-N-[(4-ethylphenyl)methylideneamino]benzamide is CCc1ccc(C=NNC(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-bromo-N-[(4-ethylphenyl)methylideneamino]benzamide?
The InChIKey is ZVVIDRWXGZDCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c1-2-12-3-5-13(6-4-12)11-18-19-16(20)14-7-9-15(17)10-8-14/h3-11H,2H2,1H3,(H,19,20).
What are the key properties of 4-bromo-N-[(4-ethylphenyl)methylideneamino]benzamide?
4-bromo-N-[(4-ethylphenyl)methylideneamino]benzamide has a molecular weight of 331.21 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(4-ethylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 725933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).