N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]pentanamide

C12H14Br2N2O3 — CID 136712213

IUPACN-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]pentanamide
SMILESCCCCC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1O
InChIInChI=1S/C12H14Br2N2O3/c1-2-3-4-9(17)16-15-6-7-5-8(13)12(19)10(14)11(7)18/h5-6,18-19H,2-4H2,1H3,(H,16,17)/b15-6+
InChIKeyZUEJFJMGQZZRLL-GIDUJCDVSA-N
MW394.06 g/mol
LogP3.26
Rot. Bonds5

About N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]pentanamide

N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]pentanamide (PubChem CID 136712213) has the molecular formula C12H14Br2N2O3 and a molecular weight of 394.06 g/mol. Its IUPAC name is N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]pentanamide.

Molecular Properties

Compound NameN-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]pentanamide
PubChem CID136712213
Molecular FormulaC12H14Br2N2O3
Molecular Weight394.06 g/mol
Exact Mass391.94
IUPAC NameN-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]pentanamide
SMILESCCCCC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1O
InChIInChI=1S/C12H14Br2N2O3/c1-2-3-4-9(17)16-15-6-7-5-8(13)12(19)10(14)11(7)18/h5-6,18-19H,2-4H2,1H3,(H,16,17)/b15-6+
InChIKeyZUEJFJMGQZZRLL-GIDUJCDVSA-N
XLogP3.26
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.06
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]pentanamide 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-[[5-bromo-3-[(E)-(heptanoylhydrazinylidene)methyl]-2-hydroxyphenyl]methylideneamino]heptanamide
CID 135684113
N,N'-bis[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]heptanediamide
CID 136802008
N-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 136789403
N-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(3,5-dimethylphenoxy)acetamide
CID 135643663
2-(4-chlorophenyl)-N-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]acetamide
CID 137171959
N-[[5-ethoxy-2-hydroxy-3-[(tridecanoylhydrazinylidene)methyl]phenyl]methylideneamino]tridecanamide
CID 4208648
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]hexanamide
CID 3623985
N-[(E)-(2-hydroxyphenyl)methylideneamino]pentanamide
CID 135509646
N-[(Z)-(2-bromo-5-methoxyphenyl)methylideneamino]octadecanamide
CID 124632237
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-(4-methylanilino)butanamide
CID 135478331
2-(4-butoxyphenoxy)-N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide
CID 2247166
N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
CID 135684764

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]pentanamide?
The IUPAC name of N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]pentanamide (CID 136712213) is N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]pentanamide.
What is the SMILES notation for N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]pentanamide?
The canonical SMILES for N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]pentanamide is CCCCC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1O.
What is the InChIKey of N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]pentanamide?
The InChIKey is ZUEJFJMGQZZRLL-GIDUJCDVSA-N. The full InChI is InChI=1S/C12H14Br2N2O3/c1-2-3-4-9(17)16-15-6-7-5-8(13)12(19)10(14)11(7)18/h5-6,18-19H,2-4H2,1H3,(H,16,17)/b15-6+.
What are the key properties of N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]pentanamide?
N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]pentanamide has a molecular weight of 394.06 g/mol, XLogP of 3.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]pentanamide is sourced from PubChem (CID 136712213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).