7-[2-[(E)-2-(2-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide

C16H22BrN3O5 — CID 44582819

IUPAC7-[2-[(E)-2-(2-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide
SMILESCOc1cc(/C=C/NNC(=O)CCCCCC(=O)NO)c(Br)cc1O
InChIInChI=1S/C16H22BrN3O5/c1-25-14-9-11(12(17)10-13(14)21)7-8-18-19-15(22)5-3-2-4-6-16(23)20-24/h7-10,18,21,24H,2-6H2,1H3,(H,19,22)(H,20,23)/b8-7+
InChIKeyFSKJOVMZVFTQQU-BQYQJAHWSA-N
MW416.27 g/mol
LogP2.21
Rot. Bonds10

About 7-[2-[(E)-2-(2-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide

7-[2-[(E)-2-(2-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide (PubChem CID 44582819) has the molecular formula C16H22BrN3O5 and a molecular weight of 416.27 g/mol. Its IUPAC name is 7-[2-[(E)-2-(2-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide.

Molecular Properties

Compound Name7-[2-[(E)-2-(2-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide
PubChem CID44582819
Molecular FormulaC16H22BrN3O5
Molecular Weight416.27 g/mol
Exact Mass415.07
IUPAC Name7-[2-[(E)-2-(2-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide
SMILESCOc1cc(/C=C/NNC(=O)CCCCCC(=O)NO)c(Br)cc1O
InChIInChI=1S/C16H22BrN3O5/c1-25-14-9-11(12(17)10-13(14)21)7-8-18-19-15(22)5-3-2-4-6-16(23)20-24/h7-10,18,21,24H,2-6H2,1H3,(H,19,22)(H,20,23)/b8-7+
InChIKeyFSKJOVMZVFTQQU-BQYQJAHWSA-N
XLogP2.21
TPSA119.92 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.27
LogP ≤ 52.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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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Related Compounds

Benzylidenehydrazine derivative, 23
CID 135883090
Benzylidenehydrazine derivative, 17
CID 135922680
7-[2-[(E)-2-(6-bromo-1,3-benzodioxol-5-yl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide
CID 44582775
7-[2-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide
CID 44582798
6-[2-[(E)-2-(2-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-6-oxohexanamide
CID 44582841
N-[(Z)-(2-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-N'-hydroxyoctanediamide
CID 135882992
methyl 8-[(2E)-2-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoate
CID 135760174
2-[(2-Bromo-5-hydroxy-4-methoxyphenyl)methyl]-4-(4-hydroxyphenyl)butanamide
CID 11003750
4-(2-Bromo-5-hydroxy-4-methoxyphenyl)-2-[(4-hydroxyphenyl)methyl]butanamide
CID 15923518
2-[(2-Bromo-5-hydroxy-4-methoxyphenyl)methyl]-5-(4-hydroxyphenyl)pentanamide
CID 150348428
[5-[4-Amino-3-[(4-hydroxyphenyl)methyl]-4-oxobutyl]-4-bromo-2-methoxyphenyl]oxidanium
CID 163746373
2-[(2-Bromo-5-hydroxy-4-methoxyphenyl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 16637940

Frequently Asked Questions

What is the IUPAC name of 7-[2-[(E)-2-(2-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide?
The IUPAC name of 7-[2-[(E)-2-(2-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide (CID 44582819) is 7-[2-[(E)-2-(2-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide.
What is the SMILES notation for 7-[2-[(E)-2-(2-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide?
The canonical SMILES for 7-[2-[(E)-2-(2-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide is COc1cc(/C=C/NNC(=O)CCCCCC(=O)NO)c(Br)cc1O.
What is the InChIKey of 7-[2-[(E)-2-(2-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide?
The InChIKey is FSKJOVMZVFTQQU-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H22BrN3O5/c1-25-14-9-11(12(17)10-13(14)21)7-8-18-19-15(22)5-3-2-4-6-16(23)20-24/h7-10,18,21,24H,2-6H2,1H3,(H,19,22)(H,20,23)/b8-7+.
What are the key properties of 7-[2-[(E)-2-(2-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide?
7-[2-[(E)-2-(2-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide has a molecular weight of 416.27 g/mol, XLogP of 2.21, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[(E)-2-(2-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide is sourced from PubChem (CID 44582819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).