N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(dimethylamino)benzamide

C16H16BrN3O2 — CID 135615018

IUPACN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cc1
InChIInChI=1S/C16H16BrN3O2/c1-20(2)14-6-3-11(4-7-14)16(22)19-18-10-12-9-13(17)5-8-15(12)21/h3-10,21H,1-2H3,(H,19,22)/b18-10+
InChIKeyFWSQCQNWFHHGRG-VCHYOVAHSA-N
MW362.23 g/mol
LogP2.98
Rot. Bonds4

About N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(dimethylamino)benzamide

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(dimethylamino)benzamide (PubChem CID 135615018) has the molecular formula C16H16BrN3O2 and a molecular weight of 362.23 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(dimethylamino)benzamide
PubChem CID135615018
Molecular FormulaC16H16BrN3O2
Molecular Weight362.23 g/mol
Exact Mass361.04
IUPAC NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cc1
InChIInChI=1S/C16H16BrN3O2/c1-20(2)14-6-3-11(4-7-14)16(22)19-18-10-12-9-13(17)5-8-15(12)21/h3-10,21H,1-2H3,(H,19,22)/b18-10+
InChIKeyFWSQCQNWFHHGRG-VCHYOVAHSA-N
XLogP2.98
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Gsk-9089
CID 5497124
n'-(4-(Diethylamino)-2-hydroxybenzylidene)-2-hydroxybenzohydrazide
CID 135472454
N'-[(E)-(3,5-Dibromo-2-hydroxyphenyl)methylidene]-4-nitrobenzohydrazide
CID 135400297
N-[[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 644030
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
N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-4-hydroxybenzohydrazide
CID 6864965
N-(4-{[2-(3-bromo-4-hydroxybenzylidene)hydrazino]carbonyl}phenyl)-2-methylbenzamide
CID 135433310
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
4-(diethylamino)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide
CID 135521630

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(dimethylamino)benzamide?
The IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(dimethylamino)benzamide (CID 135615018) is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(dimethylamino)benzamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(dimethylamino)benzamide?
The canonical SMILES for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(dimethylamino)benzamide is CN(C)c1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cc1.
What is the InChIKey of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(dimethylamino)benzamide?
The InChIKey is FWSQCQNWFHHGRG-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H16BrN3O2/c1-20(2)14-6-3-11(4-7-14)16(22)19-18-10-12-9-13(17)5-8-15(12)21/h3-10,21H,1-2H3,(H,19,22)/b18-10+.
What are the key properties of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(dimethylamino)benzamide?
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(dimethylamino)benzamide has a molecular weight of 362.23 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(dimethylamino)benzamide is sourced from PubChem (CID 135615018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).