N-[(5-bromo-2-hydroxyphenyl)methylideneamino]hexanamide

C13H17BrN2O2 — CID 3623985

IUPACN-[(5-bromo-2-hydroxyphenyl)methylideneamino]hexanamide
SMILESCCCCCC(=O)NN=Cc1cc(Br)ccc1O
InChIInChI=1S/C13H17BrN2O2/c1-2-3-4-5-13(18)16-15-9-10-8-11(14)6-7-12(10)17/h6-9,17H,2-5H2,1H3,(H,16,18)
InChIKeyFNQDBGYSKXEWJB-UHFFFAOYSA-N
MW313.19 g/mol
LogP3.19
Rot. Bonds6

About N-[(5-bromo-2-hydroxyphenyl)methylideneamino]hexanamide

N-[(5-bromo-2-hydroxyphenyl)methylideneamino]hexanamide (PubChem CID 3623985) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is N-[(5-bromo-2-hydroxyphenyl)methylideneamino]hexanamide.

Molecular Properties

Compound NameN-[(5-bromo-2-hydroxyphenyl)methylideneamino]hexanamide
PubChem CID3623985
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC NameN-[(5-bromo-2-hydroxyphenyl)methylideneamino]hexanamide
SMILESCCCCCC(=O)NN=Cc1cc(Br)ccc1O
InChIInChI=1S/C13H17BrN2O2/c1-2-3-4-5-13(18)16-15-9-10-8-11(14)6-7-12(10)17/h6-9,17H,2-5H2,1H3,(H,16,18)
InChIKeyFNQDBGYSKXEWJB-UHFFFAOYSA-N
XLogP3.19
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(5-bromo-2-hydroxyphenyl)methylideneamino]hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-hydroxy-5-nitrosophenyl)methylideneamino]hexanamide
CID 175194656
N-[[5-bromo-3-[(E)-(heptanoylhydrazinylidene)methyl]-2-hydroxyphenyl]methylideneamino]heptanamide
CID 135684113
N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]nonanamide
CID 5334708
N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]hexadecanamide
CID 136806672
N-[(2-hydroxyphenyl)methylideneamino]undecanamide
CID 5053269
N-[(2-hydroxyphenyl)methylideneamino]octanamide
CID 3393777
N,N'-bis[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]heptanediamide
CID 6021856
N,N'-bis[(5-bromo-2-propoxyphenyl)methylideneamino]heptanediamide
CID 4149823
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide;N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-hydrazinyl-4-oxobutanamide
CID 135777436
[2-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 136700893
N-[(E)-(2-hydroxyphenyl)methylideneamino]pentanamide
CID 135509646
N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-N'-hydroxyhexanediamide
CID 135883068

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-hydroxyphenyl)methylideneamino]hexanamide?
The IUPAC name of N-[(5-bromo-2-hydroxyphenyl)methylideneamino]hexanamide (CID 3623985) is N-[(5-bromo-2-hydroxyphenyl)methylideneamino]hexanamide.
What is the SMILES notation for N-[(5-bromo-2-hydroxyphenyl)methylideneamino]hexanamide?
The canonical SMILES for N-[(5-bromo-2-hydroxyphenyl)methylideneamino]hexanamide is CCCCCC(=O)NN=Cc1cc(Br)ccc1O.
What is the InChIKey of N-[(5-bromo-2-hydroxyphenyl)methylideneamino]hexanamide?
The InChIKey is FNQDBGYSKXEWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-2-3-4-5-13(18)16-15-9-10-8-11(14)6-7-12(10)17/h6-9,17H,2-5H2,1H3,(H,16,18).
What are the key properties of N-[(5-bromo-2-hydroxyphenyl)methylideneamino]hexanamide?
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]hexanamide has a molecular weight of 313.19 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-hydroxyphenyl)methylideneamino]hexanamide is sourced from PubChem (CID 3623985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).