5-bromo-N-[(2,6-dichlorophenyl)methylideneamino]-2-hydroxybenzamide

C14H9BrCl2N2O2 — CID 2246619

IUPAC5-bromo-N-[(2,6-dichlorophenyl)methylideneamino]-2-hydroxybenzamide
SMILESO=C(NN=Cc1c(Cl)cccc1Cl)c1cc(Br)ccc1O
InChIInChI=1S/C14H9BrCl2N2O2/c15-8-4-5-13(20)9(6-8)14(21)19-18-7-10-11(16)2-1-3-12(10)17/h1-7,20H,(H,19,21)
InChIKeyTXPFAUXWWMUFOY-UHFFFAOYSA-N
MW388.05 g/mol
LogP4.23
Rot. Bonds3

About 5-bromo-N-[(2,6-dichlorophenyl)methylideneamino]-2-hydroxybenzamide

5-bromo-N-[(2,6-dichlorophenyl)methylideneamino]-2-hydroxybenzamide (PubChem CID 2246619) has the molecular formula C14H9BrCl2N2O2 and a molecular weight of 388.05 g/mol. Its IUPAC name is 5-bromo-N-[(2,6-dichlorophenyl)methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[(2,6-dichlorophenyl)methylideneamino]-2-hydroxybenzamide
PubChem CID2246619
Molecular FormulaC14H9BrCl2N2O2
Molecular Weight388.05 g/mol
Exact Mass385.92
IUPAC Name5-bromo-N-[(2,6-dichlorophenyl)methylideneamino]-2-hydroxybenzamide
SMILESO=C(NN=Cc1c(Cl)cccc1Cl)c1cc(Br)ccc1O
InChIInChI=1S/C14H9BrCl2N2O2/c15-8-4-5-13(20)9(6-8)14(21)19-18-7-10-11(16)2-1-3-12(10)17/h1-7,20H,(H,19,21)
InChIKeyTXPFAUXWWMUFOY-UHFFFAOYSA-N
XLogP4.23
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.05
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-bromo-N-[(2,6-dichlorophenyl)methylideneamino]benzamide
CID 1103001
N-(anthracen-9-ylmethylideneamino)-5-bromo-2-hydroxybenzamide
CID 71960210
N-[(2-chloro-6-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 137029868
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-chloro-2-hydroxybenzamide
CID 135615369
5-bromo-2-hydroxy-N-[(E)-(3-iodophenyl)methylideneamino]benzamide
CID 58811449
2-amino-N-[(2,6-dichlorophenyl)methylideneamino]benzamide
CID 680916
5-bromo-N-(furan-2-ylmethylideneamino)-2-hydroxybenzamide
CID 767297
5-bromo-N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 762173
5-bromo-2-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 867247
5-bromo-2-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 5335668
5-bromo-2-hydroxy-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]benzamide
CID 1120113
5-bromo-N-[(Z)-(2,4-dichloro-5-nitrophenyl)methylideneamino]-2-hydroxybenzamide
CID 126224872

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2,6-dichlorophenyl)methylideneamino]-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-[(2,6-dichlorophenyl)methylideneamino]-2-hydroxybenzamide (CID 2246619) is 5-bromo-N-[(2,6-dichlorophenyl)methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-[(2,6-dichlorophenyl)methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-[(2,6-dichlorophenyl)methylideneamino]-2-hydroxybenzamide is O=C(NN=Cc1c(Cl)cccc1Cl)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-N-[(2,6-dichlorophenyl)methylideneamino]-2-hydroxybenzamide?
The InChIKey is TXPFAUXWWMUFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrCl2N2O2/c15-8-4-5-13(20)9(6-8)14(21)19-18-7-10-11(16)2-1-3-12(10)17/h1-7,20H,(H,19,21).
What are the key properties of 5-bromo-N-[(2,6-dichlorophenyl)methylideneamino]-2-hydroxybenzamide?
5-bromo-N-[(2,6-dichlorophenyl)methylideneamino]-2-hydroxybenzamide has a molecular weight of 388.05 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2,6-dichlorophenyl)methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 2246619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).