2-bromo-N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]benzamide

C17H18BrN3O2 — CID 4666849

IUPAC2-bromo-N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]benzamide
SMILESCN(CCO)c1ccc(C=NNC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C17H18BrN3O2/c1-21(10-11-22)14-8-6-13(7-9-14)12-19-20-17(23)15-4-2-3-5-16(15)18/h2-9,12,22H,10-11H2,1H3,(H,20,23)
InChIKeyXCQGKPRSCXSDOS-UHFFFAOYSA-N
MW376.25 g/mol
LogP2.64
Rot. Bonds6

About 2-bromo-N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]benzamide

2-bromo-N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]benzamide (PubChem CID 4666849) has the molecular formula C17H18BrN3O2 and a molecular weight of 376.25 g/mol. Its IUPAC name is 2-bromo-N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name2-bromo-N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]benzamide
PubChem CID4666849
Molecular FormulaC17H18BrN3O2
Molecular Weight376.25 g/mol
Exact Mass375.06
IUPAC Name2-bromo-N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]benzamide
SMILESCN(CCO)c1ccc(C=NNC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C17H18BrN3O2/c1-21(10-11-22)14-8-6-13(7-9-14)12-19-20-17(23)15-4-2-3-5-16(15)18/h2-9,12,22H,10-11H2,1H3,(H,20,23)
InChIKeyXCQGKPRSCXSDOS-UHFFFAOYSA-N
XLogP2.64
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-hydroxy-1-N-[(E)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]benzene-1,4-dicarboxamide
CID 44506545
N-[(Z)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]pyridine-2-carboxamide
CID 9015854
1-(4-fluorophenyl)-N-[(E)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]-2,5-dimethylpyrrole-3-carboxamide
CID 22829639
N-[(Z)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]-4-propan-2-yloxybenzamide
CID 9215811
4-[(E)-[(2-bromobenzoyl)hydrazinylidene]methyl]-N-hydroxy-2-methylbenzamide
CID 168908017
N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4618882
2-bromo-N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide
CID 136852060
2-bromo-N-[(Z)-[4-(3-methylbutoxy)phenyl]methylideneamino]benzamide
CID 7784387
2-bromo-N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide
CID 7832175
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-sulfamoylbenzamide
CID 177470196
2-bromo-N-[(Z)-(1-propan-2-ylpyrrol-3-yl)methylideneamino]benzamide
CID 50854010
N-(1,3-benzodioxol-5-ylmethylideneamino)-2-bromobenzamide
CID 3358206

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]benzamide?
The IUPAC name of 2-bromo-N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]benzamide (CID 4666849) is 2-bromo-N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]benzamide.
What is the SMILES notation for 2-bromo-N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]benzamide?
The canonical SMILES for 2-bromo-N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]benzamide is CN(CCO)c1ccc(C=NNC(=O)c2ccccc2Br)cc1.
What is the InChIKey of 2-bromo-N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]benzamide?
The InChIKey is XCQGKPRSCXSDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O2/c1-21(10-11-22)14-8-6-13(7-9-14)12-19-20-17(23)15-4-2-3-5-16(15)18/h2-9,12,22H,10-11H2,1H3,(H,20,23).
What are the key properties of 2-bromo-N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]benzamide?
2-bromo-N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]benzamide has a molecular weight of 376.25 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]benzamide is sourced from PubChem (CID 4666849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).