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

C15H20BrN3O4 — CID 44582817

IUPAC7-[2-[(E)-2-(2-bromo-5-hydroxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide
SMILESO=C(CCCCCC(=O)NN/C=C/c1cc(O)ccc1Br)NO
InChIInChI=1S/C15H20BrN3O4/c16-13-7-6-12(20)10-11(13)8-9-17-18-14(21)4-2-1-3-5-15(22)19-23/h6-10,17,20,23H,1-5H2,(H,18,21)(H,19,22)/b9-8+
InChIKeyNUDJEZPDACVVOF-CMDGGOBGSA-N
MW386.25 g/mol
LogP2.20
Rot. Bonds9

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

7-[2-[(E)-2-(2-bromo-5-hydroxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide (PubChem CID 44582817) has the molecular formula C15H20BrN3O4 and a molecular weight of 386.25 g/mol. Its IUPAC name is 7-[2-[(E)-2-(2-bromo-5-hydroxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide.

Molecular Properties

Compound Name7-[2-[(E)-2-(2-bromo-5-hydroxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide
PubChem CID44582817
Molecular FormulaC15H20BrN3O4
Molecular Weight386.25 g/mol
Exact Mass385.06
IUPAC Name7-[2-[(E)-2-(2-bromo-5-hydroxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide
SMILESO=C(CCCCCC(=O)NN/C=C/c1cc(O)ccc1Br)NO
InChIInChI=1S/C15H20BrN3O4/c16-13-7-6-12(20)10-11(13)8-9-17-18-14(21)4-2-1-3-5-15(22)19-23/h6-10,17,20,23H,1-5H2,(H,18,21)(H,19,22)/b9-8+
InChIKeyNUDJEZPDACVVOF-CMDGGOBGSA-N
XLogP2.20
TPSA110.69 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 52.20
H-Bond Donors ≤ 55
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-hydroxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide?
The IUPAC name of 7-[2-[(E)-2-(2-bromo-5-hydroxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide (CID 44582817) is 7-[2-[(E)-2-(2-bromo-5-hydroxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide.
What is the SMILES notation for 7-[2-[(E)-2-(2-bromo-5-hydroxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide?
The canonical SMILES for 7-[2-[(E)-2-(2-bromo-5-hydroxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide is O=C(CCCCCC(=O)NN/C=C/c1cc(O)ccc1Br)NO.
What is the InChIKey of 7-[2-[(E)-2-(2-bromo-5-hydroxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide?
The InChIKey is NUDJEZPDACVVOF-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H20BrN3O4/c16-13-7-6-12(20)10-11(13)8-9-17-18-14(21)4-2-1-3-5-15(22)19-23/h6-10,17,20,23H,1-5H2,(H,18,21)(H,19,22)/b9-8+.
What are the key properties of 7-[2-[(E)-2-(2-bromo-5-hydroxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide?
7-[2-[(E)-2-(2-bromo-5-hydroxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide has a molecular weight of 386.25 g/mol, XLogP of 2.20, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[(E)-2-(2-bromo-5-hydroxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide is sourced from PubChem (CID 44582817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).