N-[(E)-(2-bromo-5-hydroxyphenyl)methylideneamino]-N'-hydroxyheptanediamide

C14H18BrN3O4 — CID 42618301

IUPACN-[(E)-(2-bromo-5-hydroxyphenyl)methylideneamino]-N'-hydroxyheptanediamide
SMILESO=C(CCCCCC(=O)N/N=C/c1cc(O)ccc1Br)NO
InChIInChI=1S/C14H18BrN3O4/c15-12-7-6-11(19)8-10(12)9-16-17-13(20)4-2-1-3-5-14(21)18-22/h6-9,19,22H,1-5H2,(H,17,20)(H,18,21)/b16-9+
InChIKeyMZVCAJFUMYLNNY-CXUHLZMHSA-N
MW372.22 g/mol
LogP2.06
Rot. Bonds8

About N-[(E)-(2-bromo-5-hydroxyphenyl)methylideneamino]-N'-hydroxyheptanediamide

N-[(E)-(2-bromo-5-hydroxyphenyl)methylideneamino]-N'-hydroxyheptanediamide (PubChem CID 42618301) has the molecular formula C14H18BrN3O4 and a molecular weight of 372.22 g/mol. Its IUPAC name is N-[(E)-(2-bromo-5-hydroxyphenyl)methylideneamino]-N'-hydroxyheptanediamide.

Molecular Properties

Compound NameN-[(E)-(2-bromo-5-hydroxyphenyl)methylideneamino]-N'-hydroxyheptanediamide
PubChem CID42618301
Molecular FormulaC14H18BrN3O4
Molecular Weight372.22 g/mol
Exact Mass371.05
IUPAC NameN-[(E)-(2-bromo-5-hydroxyphenyl)methylideneamino]-N'-hydroxyheptanediamide
SMILESO=C(CCCCCC(=O)N/N=C/c1cc(O)ccc1Br)NO
InChIInChI=1S/C14H18BrN3O4/c15-12-7-6-11(19)8-10(12)9-16-17-13(20)4-2-1-3-5-14(21)18-22/h6-9,19,22H,1-5H2,(H,17,20)(H,18,21)/b16-9+
InChIKeyMZVCAJFUMYLNNY-CXUHLZMHSA-N
XLogP2.06
TPSA111.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 52.06
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-bromo-5-methoxyphenyl)methylideneamino]-N'-hydroxyheptanediamide
CID 42618298
Benzylidenehydrazine derivative, 8
CID 42618294
Benzylidenehydrazine derivative, 22
CID 42618307
Benzylidenehydrazine derivative, 21
CID 135883117
Benzylidenehydrazine derivative, 9
CID 135922676
Benzylidenehydrazine derivative, 17
CID 135922680
7-[2-[(E)-2-(2-bromo-5-hydroxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide
CID 44582817
6-[2-[(E)-2-(2-bromo-5-hydroxyphenyl)ethenyl]hydrazinyl]-N-hydroxy-6-oxohexanamide
CID 44582840
N'-(5-bromo-2-hydroxybenzylidene)-3-phenylpropanohydrazide
CID 135517170
N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]-2-phenylacetohydrazide
CID 135504477
N'-(3-Hydroxybenzylidene)cyclohexanecarbohydrazide
CID 9558171
N'-(5-Bromo-2-hydroxybenzylidene)tetradecanohydrazide
CID 135821940

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-bromo-5-hydroxyphenyl)methylideneamino]-N'-hydroxyheptanediamide?
The IUPAC name of N-[(E)-(2-bromo-5-hydroxyphenyl)methylideneamino]-N'-hydroxyheptanediamide (CID 42618301) is N-[(E)-(2-bromo-5-hydroxyphenyl)methylideneamino]-N'-hydroxyheptanediamide.
What is the SMILES notation for N-[(E)-(2-bromo-5-hydroxyphenyl)methylideneamino]-N'-hydroxyheptanediamide?
The canonical SMILES for N-[(E)-(2-bromo-5-hydroxyphenyl)methylideneamino]-N'-hydroxyheptanediamide is O=C(CCCCCC(=O)N/N=C/c1cc(O)ccc1Br)NO.
What is the InChIKey of N-[(E)-(2-bromo-5-hydroxyphenyl)methylideneamino]-N'-hydroxyheptanediamide?
The InChIKey is MZVCAJFUMYLNNY-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H18BrN3O4/c15-12-7-6-11(19)8-10(12)9-16-17-13(20)4-2-1-3-5-14(21)18-22/h6-9,19,22H,1-5H2,(H,17,20)(H,18,21)/b16-9+.
What are the key properties of N-[(E)-(2-bromo-5-hydroxyphenyl)methylideneamino]-N'-hydroxyheptanediamide?
N-[(E)-(2-bromo-5-hydroxyphenyl)methylideneamino]-N'-hydroxyheptanediamide has a molecular weight of 372.22 g/mol, XLogP of 2.06, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-bromo-5-hydroxyphenyl)methylideneamino]-N'-hydroxyheptanediamide is sourced from PubChem (CID 42618301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).