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

C14H18BrN3O5 — CID 135883090

IUPACN-[(E)-(2-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-N'-hydroxyhexanediamide
SMILESCOc1cc(/C=N/NC(=O)CCCCC(=O)NO)c(Br)cc1O
InChIInChI=1S/C14H18BrN3O5/c1-23-12-6-9(10(15)7-11(12)19)8-16-17-13(20)4-2-3-5-14(21)18-22/h6-8,19,22H,2-5H2,1H3,(H,17,20)(H,18,21)/b16-8+
InChIKeyHELBCDDWSHHVHV-LZYBPNLTSA-N
MW388.22 g/mol
LogP1.68
Rot. Bonds8

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

N-[(E)-(2-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-N'-hydroxyhexanediamide (PubChem CID 135883090) has the molecular formula C14H18BrN3O5 and a molecular weight of 388.22 g/mol. Its IUPAC name is N-[(E)-(2-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-N'-hydroxyhexanediamide.

Molecular Properties

Compound NameN-[(E)-(2-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-N'-hydroxyhexanediamide
PubChem CID135883090
Molecular FormulaC14H18BrN3O5
Molecular Weight388.22 g/mol
Exact Mass387.04
IUPAC NameN-[(E)-(2-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-N'-hydroxyhexanediamide
SMILESCOc1cc(/C=N/NC(=O)CCCCC(=O)NO)c(Br)cc1O
InChIInChI=1S/C14H18BrN3O5/c1-23-12-6-9(10(15)7-11(12)19)8-16-17-13(20)4-2-3-5-14(21)18-22/h6-8,19,22H,2-5H2,1H3,(H,17,20)(H,18,21)/b16-8+
InChIKeyHELBCDDWSHHVHV-LZYBPNLTSA-N
XLogP1.68
TPSA120.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.22
LogP ≤ 51.68
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-N'-hydroxyhexanediamide?
The IUPAC name of N-[(E)-(2-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-N'-hydroxyhexanediamide (CID 135883090) is N-[(E)-(2-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-N'-hydroxyhexanediamide.
What is the SMILES notation for N-[(E)-(2-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-N'-hydroxyhexanediamide?
The canonical SMILES for N-[(E)-(2-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-N'-hydroxyhexanediamide is COc1cc(/C=N/NC(=O)CCCCC(=O)NO)c(Br)cc1O.
What is the InChIKey of N-[(E)-(2-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-N'-hydroxyhexanediamide?
The InChIKey is HELBCDDWSHHVHV-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H18BrN3O5/c1-23-12-6-9(10(15)7-11(12)19)8-16-17-13(20)4-2-3-5-14(21)18-22/h6-8,19,22H,2-5H2,1H3,(H,17,20)(H,18,21)/b16-8+.
What are the key properties of N-[(E)-(2-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-N'-hydroxyhexanediamide?
N-[(E)-(2-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-N'-hydroxyhexanediamide has a molecular weight of 388.22 g/mol, XLogP of 1.68, 8 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'-hydroxyhexanediamide is sourced from PubChem (CID 135883090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).