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

C14H10BrN3O4 — CID 71951588

IUPAC3-bromo-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1cc(O)ccc1[N+](=O)[O-])c1cccc(Br)c1
InChIInChI=1S/C14H10BrN3O4/c15-11-3-1-2-9(6-11)14(20)17-16-8-10-7-12(19)4-5-13(10)18(21)22/h1-8,19H,(H,17,20)
InChIKeyAUODSCSPWSIGCB-UHFFFAOYSA-N
MW364.16 g/mol
LogP2.83
Rot. Bonds4

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

3-bromo-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]benzamide (PubChem CID 71951588) has the molecular formula C14H10BrN3O4 and a molecular weight of 364.16 g/mol. Its IUPAC name is 3-bromo-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]benzamide
PubChem CID71951588
Molecular FormulaC14H10BrN3O4
Molecular Weight364.16 g/mol
Exact Mass362.99
IUPAC Name3-bromo-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1cc(O)ccc1[N+](=O)[O-])c1cccc(Br)c1
InChIInChI=1S/C14H10BrN3O4/c15-11-3-1-2-9(6-11)14(20)17-16-8-10-7-12(19)4-5-13(10)18(21)22/h1-8,19H,(H,17,20)
InChIKeyAUODSCSPWSIGCB-UHFFFAOYSA-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': '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-bromo-N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135905938
3-bromo-N-[(2-bromo-5-hydroxyphenyl)methylideneamino]benzamide
CID 71951581
3-bromo-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135579599
2-hydroxy-N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]benzamide
CID 7373636
N-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 7334500
N-[(3-bromophenyl)methylideneamino]-3-hydroxybenzamide
CID 2695972
3-bromo-N-[(Z)-(8-hydroxy-5-nitroquinolin-7-yl)methylideneamino]benzamide
CID 137172039
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methyl-4-nitrobenzamide
CID 135683510
N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135604353
N-[(2,4-dihydroxyphenyl)methylideneamino]-3-methyl-4-nitrobenzamide
CID 155679940
3,5-dibromo-4-hydroxy-N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 137076595
N-[(E)-(4-bromo-3-nitrophenyl)methylideneamino]-3-methylbenzamide
CID 126221857

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 3-bromo-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]benzamide (CID 71951588) is 3-bromo-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-bromo-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 3-bromo-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]benzamide is O=C(NN=Cc1cc(O)ccc1[N+](=O)[O-])c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]benzamide?
The InChIKey is AUODSCSPWSIGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O4/c15-11-3-1-2-9(6-11)14(20)17-16-8-10-7-12(19)4-5-13(10)18(21)22/h1-8,19H,(H,17,20).
What are the key properties of 3-bromo-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]benzamide?
3-bromo-N-[(5-hydroxy-2-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-[(5-hydroxy-2-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 71951588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).