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

C14H10BrN3O4 — CID 135905938

IUPAC3-bromo-N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1cccc([N+](=O)[O-])c1O)c1cccc(Br)c1
InChIInChI=1S/C14H10BrN3O4/c15-11-5-1-3-9(7-11)14(20)17-16-8-10-4-2-6-12(13(10)19)18(21)22/h1-8,19H,(H,17,20)/b16-8-
InChIKeyLGXPQJJNNKWKSD-PXNMLYILSA-N
MW364.16 g/mol
LogP2.83
Rot. Bonds4

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

3-bromo-N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]benzamide (PubChem CID 135905938) has the molecular formula C14H10BrN3O4 and a molecular weight of 364.16 g/mol. Its IUPAC name is 3-bromo-N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
PubChem CID135905938
Molecular FormulaC14H10BrN3O4
Molecular Weight364.16 g/mol
Exact Mass362.99
IUPAC Name3-bromo-N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1cccc([N+](=O)[O-])c1O)c1cccc(Br)c1
InChIInChI=1S/C14H10BrN3O4/c15-11-5-1-3-9(7-11)14(20)17-16-8-10-4-2-6-12(13(10)19)18(21)22/h1-8,19H,(H,17,20)/b16-8-
InChIKeyLGXPQJJNNKWKSD-PXNMLYILSA-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_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-4-hydroxy-N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 137076595
3-fluoro-N-[(2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 3759979
3,4,5-trihydroxy-N-[(2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 4863381
3-bromo-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]benzamide
CID 71951588
N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 137173396
N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-3-methoxybenzamide
CID 137076513
3-bromo-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135579599
N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135604353
3-bromo-N-[(Z)-(8-hydroxy-5-nitroquinolin-7-yl)methylideneamino]benzamide
CID 137172039
N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-4-methoxybenzamide
CID 137122813
N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2-methoxybenzamide
CID 135589445
3-iodo-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide
CID 5332346

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 3-bromo-N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]benzamide (CID 135905938) is 3-bromo-N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-bromo-N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 3-bromo-N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]benzamide is O=C(N/N=C\c1cccc([N+](=O)[O-])c1O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]benzamide?
The InChIKey is LGXPQJJNNKWKSD-PXNMLYILSA-N. The full InChI is InChI=1S/C14H10BrN3O4/c15-11-5-1-3-9(7-11)14(20)17-16-8-10-4-2-6-12(13(10)19)18(21)22/h1-8,19H,(H,17,20)/b16-8-.
What are the key properties of 3-bromo-N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]benzamide?
3-bromo-N-[(Z)-(2-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-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 135905938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).