1-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide

C16H14BrN3O4 — CID 44507819

IUPAC1-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide
SMILESCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C16H14BrN3O4/c1-24-14-7-6-13(17)8-12(14)9-18-19-15(21)10-2-4-11(5-3-10)16(22)20-23/h2-9,23H,1H3,(H,19,21)(H,20,22)/b18-9+
InChIKeyMVHRNMZVUBWCPP-GIJQJNRQSA-N
MW392.21 g/mol
LogP2.34
Rot. Bonds5

About 1-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide

1-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide (PubChem CID 44507819) has the molecular formula C16H14BrN3O4 and a molecular weight of 392.21 g/mol. Its IUPAC name is 1-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide
PubChem CID44507819
Molecular FormulaC16H14BrN3O4
Molecular Weight392.21 g/mol
Exact Mass391.02
IUPAC Name1-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide
SMILESCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C16H14BrN3O4/c1-24-14-7-6-13(17)8-12(14)9-18-19-15(21)10-2-4-11(5-3-10)16(22)20-23/h2-9,23H,1H3,(H,19,21)(H,20,22)/b18-9+
InChIKeyMVHRNMZVUBWCPP-GIJQJNRQSA-N
XLogP2.34
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.21
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 5066879
3-bromo-N-[(5-bromo-2-methoxyphenyl)methylideneamino]benzamide
CID 1245790
4-bromo-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5404678
[4-bromo-2-[[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
CID 3793767
3-bromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 135419973
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-[(4-methylphenyl)methoxy]benzamide
CID 3797767
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 135931429
[4-bromo-2-[[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl] benzoate
CID 4598827
N-[(E)-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126328922
[4-bromo-2-[(Z)-[(3-bromobenzoyl)hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
CID 6000864
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 126135339
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-iodobenzamide
CID 6158921

Frequently Asked Questions

What is the IUPAC name of 1-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide (CID 44507819) is 1-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide is COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(C(=O)NO)cc1.
What is the InChIKey of 1-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide?
The InChIKey is MVHRNMZVUBWCPP-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H14BrN3O4/c1-24-14-7-6-13(17)8-12(14)9-18-19-15(21)10-2-4-11(5-3-10)16(22)20-23/h2-9,23H,1H3,(H,19,21)(H,20,22)/b18-9+.
What are the key properties of 1-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide?
1-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide has a molecular weight of 392.21 g/mol, XLogP of 2.34, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide is sourced from PubChem (CID 44507819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).