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

C14H10BrN3O4 — CID 135579599

IUPAC3-bromo-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1cccc(Br)c1
InChIInChI=1S/C14H10BrN3O4/c15-11-3-1-2-10(7-11)14(20)17-16-8-9-4-5-13(19)12(6-9)18(21)22/h1-8,19H,(H,17,20)/b16-8+
InChIKeyXUGFAZUIZYCSJD-LZYBPNLTSA-N
MW364.16 g/mol
LogP2.83
Rot. Bonds4

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

3-bromo-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide (PubChem CID 135579599) has the molecular formula C14H10BrN3O4 and a molecular weight of 364.16 g/mol. Its IUPAC name is 3-bromo-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
PubChem CID135579599
Molecular FormulaC14H10BrN3O4
Molecular Weight364.16 g/mol
Exact Mass362.99
IUPAC Name3-bromo-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1cccc(Br)c1
InChIInChI=1S/C14H10BrN3O4/c15-11-3-1-2-10(7-11)14(20)17-16-8-9-4-5-13(19)12(6-9)18(21)22/h1-8,19H,(H,17,20)/b16-8+
InChIKeyXUGFAZUIZYCSJD-LZYBPNLTSA-N
XLogP2.83
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.16
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-nitrobenzamide
CID 136712209
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-methoxybenzamide
CID 136712161
3-bromo-N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135905938
N-[(E)-(4-bromo-3-nitrophenyl)methylideneamino]-3-methylbenzamide
CID 126221857
3-bromo-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]benzamide
CID 71951588
4-amino-N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 136789360
4-ethyl-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135673739
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 135504453
N-[(4-hydroxy-3-nitrophenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 3117013
4-ethoxy-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 136700737
3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]benzamide
CID 693438
2-chloro-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135696942

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 3-bromo-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide (CID 135579599) is 3-bromo-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-bromo-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 3-bromo-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide is O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide?
The InChIKey is XUGFAZUIZYCSJD-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H10BrN3O4/c15-11-3-1-2-10(7-11)14(20)17-16-8-9-4-5-13(19)12(6-9)18(21)22/h1-8,19H,(H,17,20)/b16-8+.
What are the key properties of 3-bromo-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide?
3-bromo-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide has a molecular weight of 364.16 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 135579599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).