7-[2-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide

C16H22BrN3O4 — CID 44582798

IUPAC7-[2-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide
SMILESCOc1ccc(Br)c(/C=C/NNC(=O)CCCCCC(=O)NO)c1
InChIInChI=1S/C16H22BrN3O4/c1-24-13-7-8-14(17)12(11-13)9-10-18-19-15(21)5-3-2-4-6-16(22)20-23/h7-11,18,23H,2-6H2,1H3,(H,19,21)(H,20,22)/b10-9+
InChIKeyIUYNTLXWOYMSNH-MDZDMXLPSA-N
MW400.27 g/mol
LogP2.51
Rot. Bonds10

About 7-[2-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide

7-[2-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide (PubChem CID 44582798) has the molecular formula C16H22BrN3O4 and a molecular weight of 400.27 g/mol. Its IUPAC name is 7-[2-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide.

Molecular Properties

Compound Name7-[2-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide
PubChem CID44582798
Molecular FormulaC16H22BrN3O4
Molecular Weight400.27 g/mol
Exact Mass399.08
IUPAC Name7-[2-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide
SMILESCOc1ccc(Br)c(/C=C/NNC(=O)CCCCCC(=O)NO)c1
InChIInChI=1S/C16H22BrN3O4/c1-24-13-7-8-14(17)12(11-13)9-10-18-19-15(21)5-3-2-4-6-16(22)20-23/h7-11,18,23H,2-6H2,1H3,(H,19,21)(H,20,22)/b10-9+
InChIKeyIUYNTLXWOYMSNH-MDZDMXLPSA-N
XLogP2.51
TPSA99.69 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.27
LogP ≤ 52.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide?
The IUPAC name of 7-[2-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide (CID 44582798) is 7-[2-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide.
What is the SMILES notation for 7-[2-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide?
The canonical SMILES for 7-[2-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide is COc1ccc(Br)c(/C=C/NNC(=O)CCCCCC(=O)NO)c1.
What is the InChIKey of 7-[2-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide?
The InChIKey is IUYNTLXWOYMSNH-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H22BrN3O4/c1-24-13-7-8-14(17)12(11-13)9-10-18-19-15(21)5-3-2-4-6-16(22)20-23/h7-11,18,23H,2-6H2,1H3,(H,19,21)(H,20,22)/b10-9+.
What are the key properties of 7-[2-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide?
7-[2-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide has a molecular weight of 400.27 g/mol, XLogP of 2.51, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide is sourced from PubChem (CID 44582798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).