6-[2-[(E)-2-(2-bromo-5-hydroxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-6-oxohexanamide

C14H18BrN3O4 — CID 44582840

IUPAC6-[2-[(E)-2-(2-bromo-5-hydroxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-6-oxohexanamide
SMILESO=C(CCCCC(=O)NN/C=C/c1cc(O)ccc1Br)NO
InChIInChI=1S/C14H18BrN3O4/c15-12-6-5-11(19)9-10(12)7-8-16-17-13(20)3-1-2-4-14(21)18-22/h5-9,16,19,22H,1-4H2,(H,17,20)(H,18,21)/b8-7+
InChIKeyWCLZMSJWICZIIG-BQYQJAHWSA-N
MW372.22 g/mol
LogP1.81
Rot. Bonds8

About 6-[2-[(E)-2-(2-bromo-5-hydroxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-6-oxohexanamide

6-[2-[(E)-2-(2-bromo-5-hydroxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-6-oxohexanamide (PubChem CID 44582840) has the molecular formula C14H18BrN3O4 and a molecular weight of 372.22 g/mol. Its IUPAC name is 6-[2-[(E)-2-(2-bromo-5-hydroxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-6-oxohexanamide.

Molecular Properties

Compound Name6-[2-[(E)-2-(2-bromo-5-hydroxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-6-oxohexanamide
PubChem CID44582840
Molecular FormulaC14H18BrN3O4
Molecular Weight372.22 g/mol
Exact Mass371.05
IUPAC Name6-[2-[(E)-2-(2-bromo-5-hydroxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-6-oxohexanamide
SMILESO=C(CCCCC(=O)NN/C=C/c1cc(O)ccc1Br)NO
InChIInChI=1S/C14H18BrN3O4/c15-12-6-5-11(19)9-10(12)7-8-16-17-13(20)3-1-2-4-14(21)18-22/h5-9,16,19,22H,1-4H2,(H,17,20)(H,18,21)/b8-7+
InChIKeyWCLZMSJWICZIIG-BQYQJAHWSA-N
XLogP1.81
TPSA110.69 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 51.81
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 6-[2-[(E)-2-(2-bromo-5-hydroxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-6-oxohexanamide?
The IUPAC name of 6-[2-[(E)-2-(2-bromo-5-hydroxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-6-oxohexanamide (CID 44582840) is 6-[2-[(E)-2-(2-bromo-5-hydroxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-6-oxohexanamide.
What is the SMILES notation for 6-[2-[(E)-2-(2-bromo-5-hydroxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-6-oxohexanamide?
The canonical SMILES for 6-[2-[(E)-2-(2-bromo-5-hydroxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-6-oxohexanamide is O=C(CCCCC(=O)NN/C=C/c1cc(O)ccc1Br)NO.
What is the InChIKey of 6-[2-[(E)-2-(2-bromo-5-hydroxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-6-oxohexanamide?
The InChIKey is WCLZMSJWICZIIG-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H18BrN3O4/c15-12-6-5-11(19)9-10(12)7-8-16-17-13(20)3-1-2-4-14(21)18-22/h5-9,16,19,22H,1-4H2,(H,17,20)(H,18,21)/b8-7+.
What are the key properties of 6-[2-[(E)-2-(2-bromo-5-hydroxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-6-oxohexanamide?
6-[2-[(E)-2-(2-bromo-5-hydroxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-6-oxohexanamide has a molecular weight of 372.22 g/mol, XLogP of 1.81, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(E)-2-(2-bromo-5-hydroxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-6-oxohexanamide is sourced from PubChem (CID 44582840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).