3,5-dibromo-2-hydroxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide

C14H9Br2N3O4 — CID 5331629

IUPAC3,5-dibromo-2-hydroxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C14H9Br2N3O4/c15-9-5-11(13(20)12(16)6-9)14(21)18-17-7-8-1-3-10(4-2-8)19(22)23/h1-7,20H,(H,18,21)/b17-7+
InChIKeyUNETXTNGNXAUMH-REZTVBANSA-N
MW443.05 g/mol
LogP3.59
Rot. Bonds4

About 3,5-dibromo-2-hydroxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide

3,5-dibromo-2-hydroxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide (PubChem CID 5331629) has the molecular formula C14H9Br2N3O4 and a molecular weight of 443.05 g/mol. Its IUPAC name is 3,5-dibromo-2-hydroxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3,5-dibromo-2-hydroxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide
PubChem CID5331629
Molecular FormulaC14H9Br2N3O4
Molecular Weight443.05 g/mol
Exact Mass440.90
IUPAC Name3,5-dibromo-2-hydroxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C14H9Br2N3O4/c15-9-5-11(13(20)12(16)6-9)14(21)18-17-7-8-1-3-10(4-2-8)19(22)23/h1-7,20H,(H,18,21)/b17-7+
InChIKeyUNETXTNGNXAUMH-REZTVBANSA-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': '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-[(E)-(4-bromophenyl)methylideneamino]-2-hydroxybenzamide
CID 5331660
3,5-dibromo-2-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 5331706
N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide
CID 137170315
2-amino-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide
CID 5407743
N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-4-nitrobenzamide
CID 135420166
N-[(4-bromophenyl)methylideneamino]-3,5-dinitrobenzamide
CID 3090053
N-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-4-nitrobenzamide
CID 137064524
N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]oxamide
CID 6163815
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 135589181
4-[(4-bromobenzoyl)amino]-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide
CID 5457889
2-[(3-bromophenyl)methoxy]-N-[(4-nitrophenyl)methylideneamino]benzamide
CID 71960184
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide
CID 136844887

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-hydroxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 3,5-dibromo-2-hydroxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide (CID 5331629) is 3,5-dibromo-2-hydroxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 3,5-dibromo-2-hydroxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 3,5-dibromo-2-hydroxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide is O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc(Br)cc(Br)c1O.
What is the InChIKey of 3,5-dibromo-2-hydroxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide?
The InChIKey is UNETXTNGNXAUMH-REZTVBANSA-N. The full InChI is InChI=1S/C14H9Br2N3O4/c15-9-5-11(13(20)12(16)6-9)14(21)18-17-7-8-1-3-10(4-2-8)19(22)23/h1-7,20H,(H,18,21)/b17-7+.
What are the key properties of 3,5-dibromo-2-hydroxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide?
3,5-dibromo-2-hydroxy-N-[(E)-(4-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 3,5-dibromo-2-hydroxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 5331629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).