3-bromo-N-[(2-bromo-5-hydroxyphenyl)methylideneamino]benzamide

C14H10Br2N2O2 — CID 71951581

IUPAC3-bromo-N-[(2-bromo-5-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1cc(O)ccc1Br)c1cccc(Br)c1
InChIInChI=1S/C14H10Br2N2O2/c15-11-3-1-2-9(6-11)14(20)18-17-8-10-7-12(19)4-5-13(10)16/h1-8,19H,(H,18,20)
InChIKeyWEGNNTLMIAMVNC-UHFFFAOYSA-N
MW398.05 g/mol
LogP3.68
Rot. Bonds3

About 3-bromo-N-[(2-bromo-5-hydroxyphenyl)methylideneamino]benzamide

3-bromo-N-[(2-bromo-5-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 71951581) has the molecular formula C14H10Br2N2O2 and a molecular weight of 398.05 g/mol. Its IUPAC name is 3-bromo-N-[(2-bromo-5-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(2-bromo-5-hydroxyphenyl)methylideneamino]benzamide
PubChem CID71951581
Molecular FormulaC14H10Br2N2O2
Molecular Weight398.05 g/mol
Exact Mass395.91
IUPAC Name3-bromo-N-[(2-bromo-5-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1cc(O)ccc1Br)c1cccc(Br)c1
InChIInChI=1S/C14H10Br2N2O2/c15-11-3-1-2-9(6-11)14(20)18-17-8-10-7-12(19)4-5-13(10)16/h1-8,19H,(H,18,20)
InChIKeyWEGNNTLMIAMVNC-UHFFFAOYSA-N
XLogP3.68
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.05
LogP ≤ 53.68
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-[(5-hydroxy-2-nitrophenyl)methylideneamino]benzamide
CID 71951588
N-[(3-bromophenyl)methylideneamino]-3-hydroxybenzamide
CID 2695972
3-bromo-N-[(2-iodophenyl)methylideneamino]benzamide
CID 3586825
3-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]benzamide
CID 135905942
3-bromo-N-[(2,6-dichlorophenyl)methylideneamino]benzamide
CID 1103001
3-bromo-N-[(E)-pyridin-4-ylmethylideneamino]benzamide
CID 6870510
3-bromo-N-[(5-bromo-2-methoxyphenyl)methylideneamino]benzamide
CID 1245790
N-[(Z)-[5-benzyl-3-[(E)-[(3-bromobenzoyl)hydrazinylidene]methyl]-2-hydroxyphenyl]methylideneamino]-3-bromobenzamide
CID 135680192
N-[(E)-[5-benzyl-3-[(E)-[(3-bromobenzoyl)hydrazinylidene]methyl]-2-hydroxyphenyl]methylideneamino]-3-bromobenzamide
CID 135437640
3-bromo-N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135905938
3-bromo-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 135403168
N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 135546379

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2-bromo-5-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3-bromo-N-[(2-bromo-5-hydroxyphenyl)methylideneamino]benzamide (CID 71951581) is 3-bromo-N-[(2-bromo-5-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-bromo-N-[(2-bromo-5-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-bromo-N-[(2-bromo-5-hydroxyphenyl)methylideneamino]benzamide is O=C(NN=Cc1cc(O)ccc1Br)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(2-bromo-5-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is WEGNNTLMIAMVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2N2O2/c15-11-3-1-2-9(6-11)14(20)18-17-8-10-7-12(19)4-5-13(10)16/h1-8,19H,(H,18,20).
What are the key properties of 3-bromo-N-[(2-bromo-5-hydroxyphenyl)methylideneamino]benzamide?
3-bromo-N-[(2-bromo-5-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 398.05 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2-bromo-5-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 71951581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).