4-bromo-N-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]benzamide

C14H9Br2N3O4 — CID 4291162

IUPAC4-bromo-N-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1cc([N+](=O)[O-])cc(Br)c1O)c1ccc(Br)cc1
InChIInChI=1S/C14H9Br2N3O4/c15-10-3-1-8(2-4-10)14(21)18-17-7-9-5-11(19(22)23)6-12(16)13(9)20/h1-7,20H,(H,18,21)
InChIKeyXSAYLPYUYLQEOR-UHFFFAOYSA-N
MW443.05 g/mol
LogP3.59
Rot. Bonds4

About 4-bromo-N-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]benzamide

4-bromo-N-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]benzamide (PubChem CID 4291162) has the molecular formula C14H9Br2N3O4 and a molecular weight of 443.05 g/mol. Its IUPAC name is 4-bromo-N-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
PubChem CID4291162
Molecular FormulaC14H9Br2N3O4
Molecular Weight443.05 g/mol
Exact Mass440.90
IUPAC Name4-bromo-N-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1cc([N+](=O)[O-])cc(Br)c1O)c1ccc(Br)cc1
InChIInChI=1S/C14H9Br2N3O4/c15-10-3-1-8(2-4-10)14(21)18-17-7-9-5-11(19(22)23)6-12(16)13(9)20/h1-7,20H,(H,18,21)
InChIKeyXSAYLPYUYLQEOR-UHFFFAOYSA-N
XLogP3.59
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.05
LogP ≤ 53.59
H-Bond Donors ≤ 52
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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,5-dibromo-N-[(Z)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-4-hydroxybenzamide
CID 137173005
4-acetamido-N-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 3630343
N-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-4-nitrobenzamide
CID 3252277
N-[(E)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-3-methoxybenzamide
CID 137118711
2-(4-bromoanilino)-N-[(Z)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 137149865
N-[(Z)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 137080586
[(E)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]urea
CID 135504406
N-[(Z)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-3-(2,5-dimethylpyrrol-1-yl)benzamide
CID 137076615
4-chloro-N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]benzamide
CID 135579203
N-[(4-bromophenyl)methylideneamino]-3,5-dinitrobenzamide
CID 3090053
N-[(Z)-(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]benzamide
CID 135554639
4-[(4-bromophenyl)methoxy]-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 171131713

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 4-bromo-N-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]benzamide (CID 4291162) is 4-bromo-N-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-bromo-N-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 4-bromo-N-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]benzamide is O=C(NN=Cc1cc([N+](=O)[O-])cc(Br)c1O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]benzamide?
The InChIKey is XSAYLPYUYLQEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2N3O4/c15-10-3-1-8(2-4-10)14(21)18-17-7-9-5-11(19(22)23)6-12(16)13(9)20/h1-7,20H,(H,18,21).
What are the key properties of 4-bromo-N-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]benzamide?
4-bromo-N-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]benzamide has a molecular weight of 443.05 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 4291162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).