N-[(E)-(3-bromo-2-hydroxyphenyl)methylideneamino]benzamide

C14H11BrN2O2 — CID 137100864

IUPACN-[(E)-(3-bromo-2-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cccc(Br)c1O)c1ccccc1
InChIInChI=1S/C14H11BrN2O2/c15-12-8-4-7-11(13(12)18)9-16-17-14(19)10-5-2-1-3-6-10/h1-9,18H,(H,17,19)/b16-9+
InChIKeyHBBGZSAWFNGFGC-CXUHLZMHSA-N
MW319.16 g/mol
LogP2.92
Rot. Bonds3

About N-[(E)-(3-bromo-2-hydroxyphenyl)methylideneamino]benzamide

N-[(E)-(3-bromo-2-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 137100864) has the molecular formula C14H11BrN2O2 and a molecular weight of 319.16 g/mol. Its IUPAC name is N-[(E)-(3-bromo-2-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-(3-bromo-2-hydroxyphenyl)methylideneamino]benzamide
PubChem CID137100864
Molecular FormulaC14H11BrN2O2
Molecular Weight319.16 g/mol
Exact Mass318.00
IUPAC NameN-[(E)-(3-bromo-2-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cccc(Br)c1O)c1ccccc1
InChIInChI=1S/C14H11BrN2O2/c15-12-8-4-7-11(13(12)18)9-16-17-14(19)10-5-2-1-3-6-10/h1-9,18H,(H,17,19)/b16-9+
InChIKeyHBBGZSAWFNGFGC-CXUHLZMHSA-N
XLogP2.92
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(E)-(3-bromo-2-hydroxyphenyl)methylideneamino]benzamide 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

Chel 180
CID 135445765
4-Hydroxybenzoic (2-hydroxybenzylidene)hydrazide
CID 135778696
(2-Hydroxybenzylidene)salicylohydrazide
CID 135484660
Nsc204792
CID 135459102
2-bromo-N'-[(E)-(5-chloro-2-hydroxyphenyl)methylidene]benzohydrazide
CID 135460546
3-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
CID 135579623
4-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
CID 135867733
4-tert-butyl-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
CID 135867737
2-Hydroxy-N'-[(E)-(3-hydroxyphenyl)methylidene]benzohydrazide
CID 6893640
(E)-4-bromo-N'-(2-hydroxybenzylidene)benzohydrazide
CID 135412162
Salicylic (4-hydroxybenzylidene)hydrazide
CID 135504499
3-bromo-N'-(2-hydroxybenzylidene)benzohydrazide
CID 135641592

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-bromo-2-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of N-[(E)-(3-bromo-2-hydroxyphenyl)methylideneamino]benzamide (CID 137100864) is N-[(E)-(3-bromo-2-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for N-[(E)-(3-bromo-2-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for N-[(E)-(3-bromo-2-hydroxyphenyl)methylideneamino]benzamide is O=C(N/N=C/c1cccc(Br)c1O)c1ccccc1.
What is the InChIKey of N-[(E)-(3-bromo-2-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is HBBGZSAWFNGFGC-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H11BrN2O2/c15-12-8-4-7-11(13(12)18)9-16-17-14(19)10-5-2-1-3-6-10/h1-9,18H,(H,17,19)/b16-9+.
What are the key properties of N-[(E)-(3-bromo-2-hydroxyphenyl)methylideneamino]benzamide?
N-[(E)-(3-bromo-2-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 319.16 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-bromo-2-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 137100864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).