N-[(E)-(2-bromophenyl)methylideneamino]-N'-hydroxyhexanediamide

C13H16BrN3O3 — CID 44506449

IUPACN-[(E)-(2-bromophenyl)methylideneamino]-N'-hydroxyhexanediamide
SMILESO=C(CCCCC(=O)N/N=C/c1ccccc1Br)NO
InChIInChI=1S/C13H16BrN3O3/c14-11-6-2-1-5-10(11)9-15-16-12(18)7-3-4-8-13(19)17-20/h1-2,5-6,9,20H,3-4,7-8H2,(H,16,18)(H,17,19)/b15-9+
InChIKeyIUAHKRKBKYPKPD-OQLLNIDSSA-N
MW342.19 g/mol
LogP1.97
Rot. Bonds7

About N-[(E)-(2-bromophenyl)methylideneamino]-N'-hydroxyhexanediamide

N-[(E)-(2-bromophenyl)methylideneamino]-N'-hydroxyhexanediamide (PubChem CID 44506449) has the molecular formula C13H16BrN3O3 and a molecular weight of 342.19 g/mol. Its IUPAC name is N-[(E)-(2-bromophenyl)methylideneamino]-N'-hydroxyhexanediamide.

Molecular Properties

Compound NameN-[(E)-(2-bromophenyl)methylideneamino]-N'-hydroxyhexanediamide
PubChem CID44506449
Molecular FormulaC13H16BrN3O3
Molecular Weight342.19 g/mol
Exact Mass341.04
IUPAC NameN-[(E)-(2-bromophenyl)methylideneamino]-N'-hydroxyhexanediamide
SMILESO=C(CCCCC(=O)N/N=C/c1ccccc1Br)NO
InChIInChI=1S/C13H16BrN3O3/c14-11-6-2-1-5-10(11)9-15-16-12(18)7-3-4-8-13(19)17-20/h1-2,5-6,9,20H,3-4,7-8H2,(H,16,18)(H,17,19)/b15-9+
InChIKeyIUAHKRKBKYPKPD-OQLLNIDSSA-N
XLogP1.97
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[(E)-(3-bromo-4-pyridinyl)methylideneamino]-N'-hydroxyheptanediamide
CID 44507860
N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]decanediamide
CID 135555032
N-[(Z)-(2-bromophenyl)methylideneamino]-2-phenoxyacetamide
CID 5414432
N,N'-bis[(2-fluorophenyl)methylideneamino]heptanediamide
CID 4059659
N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-N'-hydroxyhexanediamide
CID 135883068
2-(azepan-1-yl)-N-[(E)-(2-bromophenyl)methylideneamino]acetamide
CID 6894512
N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-N'-hydroxyoctanediamide
CID 135922676
2-[(E)-[[5-[(2Z)-2-[(2-carboxyphenyl)methylidene]hydrazinyl]-5-oxopentanoyl]hydrazinylidene]methyl]benzoic acid
CID 6861545
2-[[[5-[(2Z)-2-[(2-carboxyphenyl)methylidene]hydrazinyl]-5-oxopentanoyl]hydrazinylidene]methyl]benzoic acid
CID 5380791
N-[(2-hydroxyphenyl)methylideneamino]octanamide
CID 3393777
N-[(2-hydroxyphenyl)methylideneamino]undecanamide
CID 5053269
N-[(2-bromophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 2695035

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-bromophenyl)methylideneamino]-N'-hydroxyhexanediamide?
The IUPAC name of N-[(E)-(2-bromophenyl)methylideneamino]-N'-hydroxyhexanediamide (CID 44506449) is N-[(E)-(2-bromophenyl)methylideneamino]-N'-hydroxyhexanediamide.
What is the SMILES notation for N-[(E)-(2-bromophenyl)methylideneamino]-N'-hydroxyhexanediamide?
The canonical SMILES for N-[(E)-(2-bromophenyl)methylideneamino]-N'-hydroxyhexanediamide is O=C(CCCCC(=O)N/N=C/c1ccccc1Br)NO.
What is the InChIKey of N-[(E)-(2-bromophenyl)methylideneamino]-N'-hydroxyhexanediamide?
The InChIKey is IUAHKRKBKYPKPD-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H16BrN3O3/c14-11-6-2-1-5-10(11)9-15-16-12(18)7-3-4-8-13(19)17-20/h1-2,5-6,9,20H,3-4,7-8H2,(H,16,18)(H,17,19)/b15-9+.
What are the key properties of N-[(E)-(2-bromophenyl)methylideneamino]-N'-hydroxyhexanediamide?
N-[(E)-(2-bromophenyl)methylideneamino]-N'-hydroxyhexanediamide has a molecular weight of 342.19 g/mol, XLogP of 1.97, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-bromophenyl)methylideneamino]-N'-hydroxyhexanediamide is sourced from PubChem (CID 44506449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).