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

C15H12Br2N2O2 — CID 1245790

IUPAC3-bromo-N-[(5-bromo-2-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(Br)cc1C=NNC(=O)c1cccc(Br)c1
InChIInChI=1S/C15H12Br2N2O2/c1-21-14-6-5-13(17)8-11(14)9-18-19-15(20)10-3-2-4-12(16)7-10/h2-9H,1H3,(H,19,20)
InChIKeyBYQVGOUUDFGJPP-UHFFFAOYSA-N
MW412.08 g/mol
LogP3.98
Rot. Bonds4

About 3-bromo-N-[(5-bromo-2-methoxyphenyl)methylideneamino]benzamide

3-bromo-N-[(5-bromo-2-methoxyphenyl)methylideneamino]benzamide (PubChem CID 1245790) has the molecular formula C15H12Br2N2O2 and a molecular weight of 412.08 g/mol. Its IUPAC name is 3-bromo-N-[(5-bromo-2-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(5-bromo-2-methoxyphenyl)methylideneamino]benzamide
PubChem CID1245790
Molecular FormulaC15H12Br2N2O2
Molecular Weight412.08 g/mol
Exact Mass409.93
IUPAC Name3-bromo-N-[(5-bromo-2-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(Br)cc1C=NNC(=O)c1cccc(Br)c1
InChIInChI=1S/C15H12Br2N2O2/c1-21-14-6-5-13(17)8-11(14)9-18-19-15(20)10-3-2-4-12(16)7-10/h2-9H,1H3,(H,19,20)
InChIKeyBYQVGOUUDFGJPP-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

[4-bromo-2-[(Z)-[(3-bromobenzoyl)hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
CID 6000864
1-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide
CID 44507819
3-bromo-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 5334858
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 5066879
N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-(diethylsulfamoyl)benzamide
CID 6900515
[4-bromo-2-[[(3-bromobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
CID 5175869
3-bromo-N-[(Z)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 136865713
3-bromo-N-[(3-iodo-4-methoxyphenyl)methylideneamino]benzamide
CID 71951596
[4-bromo-2-[[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
CID 3793767
[4-bromo-2-[[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl] benzoate
CID 4598827
3-bromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 135419973
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-iodobenzamide
CID 6158921

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(5-bromo-2-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3-bromo-N-[(5-bromo-2-methoxyphenyl)methylideneamino]benzamide (CID 1245790) is 3-bromo-N-[(5-bromo-2-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-bromo-N-[(5-bromo-2-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-bromo-N-[(5-bromo-2-methoxyphenyl)methylideneamino]benzamide is COc1ccc(Br)cc1C=NNC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(5-bromo-2-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is BYQVGOUUDFGJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2N2O2/c1-21-14-6-5-13(17)8-11(14)9-18-19-15(20)10-3-2-4-12(16)7-10/h2-9H,1H3,(H,19,20).
What are the key properties of 3-bromo-N-[(5-bromo-2-methoxyphenyl)methylideneamino]benzamide?
3-bromo-N-[(5-bromo-2-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 3-bromo-N-[(5-bromo-2-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 1245790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).