5-bromo-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide

C18H20BrN3O3 — CID 135515724

IUPAC5-bromo-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2cc(Br)ccc2O)c(O)c1
InChIInChI=1S/C18H20BrN3O3/c1-3-22(4-2)14-7-5-12(17(24)10-14)11-20-21-18(25)15-9-13(19)6-8-16(15)23/h5-11,23-24H,3-4H2,1-2H3,(H,21,25)/b20-11+
InChIKeyJEBPKUBJSHLOBN-RGVLZGJSSA-N
MW406.28 g/mol
LogP3.47
Rot. Bonds6

About 5-bromo-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide

5-bromo-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide (PubChem CID 135515724) has the molecular formula C18H20BrN3O3 and a molecular weight of 406.28 g/mol. Its IUPAC name is 5-bromo-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide
PubChem CID135515724
Molecular FormulaC18H20BrN3O3
Molecular Weight406.28 g/mol
Exact Mass405.07
IUPAC Name5-bromo-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2cc(Br)ccc2O)c(O)c1
InChIInChI=1S/C18H20BrN3O3/c1-3-22(4-2)14-7-5-12(17(24)10-14)11-20-21-18(25)15-9-13(19)6-8-16(15)23/h5-11,23-24H,3-4H2,1-2H3,(H,21,25)/b20-11+
InChIKeyJEBPKUBJSHLOBN-RGVLZGJSSA-N
XLogP3.47
TPSA85.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.28
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

n'-(4-(Diethylamino)-2-hydroxybenzylidene)-2-hydroxybenzohydrazide
CID 135472454
N'-(5-bromo-2-hydroxybenzylidene)-3-(2-oxo-1-pyrrolidinyl)benzohydrazide
CID 135401367
N'1-(3,5-dibromo-2-hydroxybenzylidene)-4-(dimethylamino)benzene-1-carbohydrazide
CID 135520577
N'-(3,5-dibromo-2-hydroxybenzylidene)-3-(2-oxo-1-pyrrolidinyl)benzohydrazide
CID 135403109
2-Hydroxy-4-diethylaminobenzaldehyde 4-tert-butyl-benzoyl hydrazone
CID 135470886
4-acetamido-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 135460498
N-(4-{[2-(3,5-dibromo-2-hydroxybenzylidene)hydrazino]carbonyl}phenyl)-2-methylpropanamide
CID 135460589
N'-[4-(diethylamino)-2-hydroxybenzylidene]benzohydrazide
CID 135472455
N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]-4-(dimethylamino)benzamide
CID 154588483
N'-(4-(Diethylamino)benzylidene)-2-hydroxybenzohydrazide
CID 6898897
5-bromo-N-[1-[3-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]-2-hydroxybenzamide
CID 25237427
3-[(5-bromo-2-hydroxybenzoyl)hydrazono]-2-(hydroxyimino)-N-phenylbutanamide
CID 135504398

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide (CID 135515724) is 5-bromo-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide is CCN(CC)c1ccc(/C=N/NC(=O)c2cc(Br)ccc2O)c(O)c1.
What is the InChIKey of 5-bromo-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide?
The InChIKey is JEBPKUBJSHLOBN-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H20BrN3O3/c1-3-22(4-2)14-7-5-12(17(24)10-14)11-20-21-18(25)15-9-13(19)6-8-16(15)23/h5-11,23-24H,3-4H2,1-2H3,(H,21,25)/b20-11+.
What are the key properties of 5-bromo-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide?
5-bromo-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide has a molecular weight of 406.28 g/mol, XLogP of 3.47, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 135515724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).