4-bromo-N-[(2-bromo-5-methoxyphenyl)methylideneamino]benzamide

C15H12Br2N2O2 — CID 1245899

IUPAC4-bromo-N-[(2-bromo-5-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(Br)c(C=NNC(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C15H12Br2N2O2/c1-21-13-6-7-14(17)11(8-13)9-18-19-15(20)10-2-4-12(16)5-3-10/h2-9H,1H3,(H,19,20)
InChIKeyFDQVCBAOZIRJRY-UHFFFAOYSA-N
MW412.08 g/mol
LogP3.98
Rot. Bonds4

About 4-bromo-N-[(2-bromo-5-methoxyphenyl)methylideneamino]benzamide

4-bromo-N-[(2-bromo-5-methoxyphenyl)methylideneamino]benzamide (PubChem CID 1245899) has the molecular formula C15H12Br2N2O2 and a molecular weight of 412.08 g/mol. Its IUPAC name is 4-bromo-N-[(2-bromo-5-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(2-bromo-5-methoxyphenyl)methylideneamino]benzamide
PubChem CID1245899
Molecular FormulaC15H12Br2N2O2
Molecular Weight412.08 g/mol
Exact Mass409.93
IUPAC Name4-bromo-N-[(2-bromo-5-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(Br)c(C=NNC(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C15H12Br2N2O2/c1-21-13-6-7-14(17)11(8-13)9-18-19-15(20)10-2-4-12(16)5-3-10/h2-9H,1H3,(H,19,20)
InChIKeyFDQVCBAOZIRJRY-UHFFFAOYSA-N
XLogP3.98
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.08
LogP ≤ 53.98
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

N-[(2-bromo-5-methoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 1369435
1,3-bis[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]urea
CID 5334969
2-N,5-N-bis[(2-bromo-5-methoxyphenyl)methylideneamino]furan-2,5-dicarboxamide
CID 4583740
4-bromo-N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]benzamide
CID 135606782
4-bromo-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 6907430
N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 44507388
N-[(E)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 135478077
N-[2-[(2E)-2-[(2-bromo-5-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
CID 51061390
4-amino-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide;hydrate
CID 139084206
4-bromo-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5404678
N-[(2,5-dimethoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 4193667
N-[(2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 584655

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2-bromo-5-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-bromo-N-[(2-bromo-5-methoxyphenyl)methylideneamino]benzamide (CID 1245899) is 4-bromo-N-[(2-bromo-5-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-bromo-N-[(2-bromo-5-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-bromo-N-[(2-bromo-5-methoxyphenyl)methylideneamino]benzamide is COc1ccc(Br)c(C=NNC(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 4-bromo-N-[(2-bromo-5-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is FDQVCBAOZIRJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2N2O2/c1-21-13-6-7-14(17)11(8-13)9-18-19-15(20)10-2-4-12(16)5-3-10/h2-9H,1H3,(H,19,20).
What are the key properties of 4-bromo-N-[(2-bromo-5-methoxyphenyl)methylideneamino]benzamide?
4-bromo-N-[(2-bromo-5-methoxyphenyl)methylideneamino]benzamide has a molecular weight of 412.08 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2-bromo-5-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 1245899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).