N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-nitrobenzamide

C14H9Br2N3O4 — CID 3090215

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

About N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-nitrobenzamide

N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-nitrobenzamide (PubChem CID 3090215) has the molecular formula C14H9Br2N3O4 and a molecular weight of 443.05 g/mol. Its IUPAC name is N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-nitrobenzamide
PubChem CID3090215
Molecular FormulaC14H9Br2N3O4
Molecular Weight443.05 g/mol
Exact Mass440.90
IUPAC NameN-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-nitrobenzamide
SMILESO=C(NN=Cc1cc(Br)cc(Br)c1O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H9Br2N3O4/c15-10-5-9(13(20)12(16)6-10)7-17-18-14(21)8-1-3-11(4-2-8)19(22)23/h1-7,20H,(H,18,21)
InChIKeyFUESCEAUXXRNSI-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

N'-[(E)-(3,5-Dibromo-2-hydroxyphenyl)methylidene]-4-nitrobenzohydrazide
CID 135400297
N'1-(3,5-dibromo-2-hydroxybenzylidene)-4-(dimethylamino)benzene-1-carbohydrazide
CID 135520577
N'-(2-hydroxy-5-nitrobenzylidene)-4-nitrobenzohydrazide
CID 86261394
5-bromo-2-methoxy-N'-[(1E)-(4-nitrophenyl)methylene]benzohydrazide
CID 46498056
4-acetamido-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 135460498
N-(4-{[2-(3,5-dibromo-2-hydroxybenzylidene)hydrazino]carbonyl}phenyl)-2-methylpropanamide
CID 135460589
2-hydroxy-N'-(4-nitrobenzylidene)benzohydrazide
CID 6870740
N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-4-nitrobenzamide
CID 135428733
(E)-3-(2-(3,5-Dibromo-2-hydroxybenzylidene)hydrazinyl)benzoic acid
CID 135516998
4-bromo-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 135569113
N'-(2-hydroxybenzylidene)-4-nitrobenzohydrazide
CID 135400288
N'-(5-bromo-2-hydroxybenzylidene)-3-nitrobenzohydrazide
CID 86261406

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-nitrobenzamide?
The IUPAC name of N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-nitrobenzamide (CID 3090215) is N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-nitrobenzamide.
What is the SMILES notation for N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-nitrobenzamide?
The canonical SMILES for N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-nitrobenzamide is O=C(NN=Cc1cc(Br)cc(Br)c1O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-nitrobenzamide?
The InChIKey is FUESCEAUXXRNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2N3O4/c15-10-5-9(13(20)12(16)6-10)7-17-18-14(21)8-1-3-11(4-2-8)19(22)23/h1-7,20H,(H,18,21).
What are the key properties of N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-nitrobenzamide?
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-nitrobenzamide 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 N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-nitrobenzamide is sourced from PubChem (CID 3090215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).