N-[(E)-(2-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-N'-hydroxyheptanediamide

C15H20BrN3O5 — CID 135922680

IUPACN-[(E)-(2-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-N'-hydroxyheptanediamide
SMILESCOc1cc(/C=N/NC(=O)CCCCCC(=O)NO)c(Br)cc1O
InChIInChI=1S/C15H20BrN3O5/c1-24-13-7-10(11(16)8-12(13)20)9-17-18-14(21)5-3-2-4-6-15(22)19-23/h7-9,20,23H,2-6H2,1H3,(H,18,21)(H,19,22)/b17-9+
InChIKeyXGOBOHJPZCWBLS-RQZCQDPDSA-N
MW402.25 g/mol
LogP2.07
Rot. Bonds9

About N-[(E)-(2-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-N'-hydroxyheptanediamide

N-[(E)-(2-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-N'-hydroxyheptanediamide (PubChem CID 135922680) has the molecular formula C15H20BrN3O5 and a molecular weight of 402.25 g/mol. Its IUPAC name is N-[(E)-(2-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-N'-hydroxyheptanediamide.

Molecular Properties

Compound NameN-[(E)-(2-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-N'-hydroxyheptanediamide
PubChem CID135922680
Molecular FormulaC15H20BrN3O5
Molecular Weight402.25 g/mol
Exact Mass401.06
IUPAC NameN-[(E)-(2-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-N'-hydroxyheptanediamide
SMILESCOc1cc(/C=N/NC(=O)CCCCCC(=O)NO)c(Br)cc1O
InChIInChI=1S/C15H20BrN3O5/c1-24-13-7-10(11(16)8-12(13)20)9-17-18-14(21)5-3-2-4-6-15(22)19-23/h7-9,20,23H,2-6H2,1H3,(H,18,21)(H,19,22)/b17-9+
InChIKeyXGOBOHJPZCWBLS-RQZCQDPDSA-N
XLogP2.07
TPSA120.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.25
LogP ≤ 52.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(2-bromo-5-methoxyphenyl)methylideneamino]-N'-hydroxyheptanediamide
CID 42618298
N'-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-2-phenylacetohydrazide
CID 135536260
Benzylidenehydrazine derivative, 10
CID 42618296
Benzylidenehydrazine derivative, 15
CID 42618301
Benzylidenehydrazine derivative, 23
CID 135883090
7-[2-[(E)-2-(2-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide
CID 44582819
6-[2-[(E)-2-(2-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-6-oxohexanamide
CID 44582841
N'-(3-bromo-4-hydroxy-5-methoxybenzylidene)hexanohydrazide
CID 135401371
N'-(4-Hydroxy-3-methoxybenzylidene)hexadecanohydrazide
CID 136499958
(Z)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]octadec-9-enamide
CID 145982880
N'-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-cyanoacetohydrazide
CID 135460493
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]nonanamide
CID 135678693

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-N'-hydroxyheptanediamide?
The IUPAC name of N-[(E)-(2-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-N'-hydroxyheptanediamide (CID 135922680) is N-[(E)-(2-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-N'-hydroxyheptanediamide.
What is the SMILES notation for N-[(E)-(2-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-N'-hydroxyheptanediamide?
The canonical SMILES for N-[(E)-(2-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-N'-hydroxyheptanediamide is COc1cc(/C=N/NC(=O)CCCCCC(=O)NO)c(Br)cc1O.
What is the InChIKey of N-[(E)-(2-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-N'-hydroxyheptanediamide?
The InChIKey is XGOBOHJPZCWBLS-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H20BrN3O5/c1-24-13-7-10(11(16)8-12(13)20)9-17-18-14(21)5-3-2-4-6-15(22)19-23/h7-9,20,23H,2-6H2,1H3,(H,18,21)(H,19,22)/b17-9+.
What are the key properties of N-[(E)-(2-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-N'-hydroxyheptanediamide?
N-[(E)-(2-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-N'-hydroxyheptanediamide has a molecular weight of 402.25 g/mol, XLogP of 2.07, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-N'-hydroxyheptanediamide is sourced from PubChem (CID 135922680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).