N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]-4-methylbenzamide

C16H14Br2N2O2 — CID 5430582

IUPACN-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]-4-methylbenzamide
SMILESCOc1c(Br)cc(/C=N\NC(=O)c2ccc(C)cc2)cc1Br
InChIInChI=1S/C16H14Br2N2O2/c1-10-3-5-12(6-4-10)16(21)20-19-9-11-7-13(17)15(22-2)14(18)8-11/h3-9H,1-2H3,(H,20,21)/b19-9-
InChIKeyQZIDGGGIAHEBOU-OCKHKDLRSA-N
MW426.11 g/mol
LogP4.29
Rot. Bonds4

About N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]-4-methylbenzamide

N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]-4-methylbenzamide (PubChem CID 5430582) has the molecular formula C16H14Br2N2O2 and a molecular weight of 426.11 g/mol. Its IUPAC name is N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]-4-methylbenzamide
PubChem CID5430582
Molecular FormulaC16H14Br2N2O2
Molecular Weight426.11 g/mol
Exact Mass423.94
IUPAC NameN-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]-4-methylbenzamide
SMILESCOc1c(Br)cc(/C=N\NC(=O)c2ccc(C)cc2)cc1Br
InChIInChI=1S/C16H14Br2N2O2/c1-10-3-5-12(6-4-10)16(21)20-19-9-11-7-13(17)15(22-2)14(18)8-11/h3-9H,1-2H3,(H,20,21)/b19-9-
InChIKeyQZIDGGGIAHEBOU-OCKHKDLRSA-N
XLogP4.29
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.11
LogP ≤ 54.29
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-amino-N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide
CID 110514983
4-acetamido-N-[(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide
CID 3873499
N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 41270292
4-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 769086
N-[(E)-[4-(2-amino-2-oxoethoxy)-3-bromo-5-methoxyphenyl]methylideneamino]-4-methylbenzamide
CID 126263379
3-amino-N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide
CID 110512236
N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-methylbenzamide
CID 4613263
N-[(Z)-(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 9016730
4-[(2,6-dibromo-4-methylphenoxy)methyl]-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 2370993
N-[(Z)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-4-methylbenzamide
CID 110509146
N-[(E)-[3,5-dibromo-4-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 126269617
N-[(Z)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658848

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]-4-methylbenzamide?
The IUPAC name of N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]-4-methylbenzamide (CID 5430582) is N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]-4-methylbenzamide.
What is the SMILES notation for N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]-4-methylbenzamide?
The canonical SMILES for N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]-4-methylbenzamide is COc1c(Br)cc(/C=N\NC(=O)c2ccc(C)cc2)cc1Br.
What is the InChIKey of N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]-4-methylbenzamide?
The InChIKey is QZIDGGGIAHEBOU-OCKHKDLRSA-N. The full InChI is InChI=1S/C16H14Br2N2O2/c1-10-3-5-12(6-4-10)16(21)20-19-9-11-7-13(17)15(22-2)14(18)8-11/h3-9H,1-2H3,(H,20,21)/b19-9-.
What are the key properties of N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]-4-methylbenzamide?
N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]-4-methylbenzamide has a molecular weight of 426.11 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]-4-methylbenzamide is sourced from PubChem (CID 5430582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).