5-bromo-N-[(Z)-(2,4-dichloro-5-nitrophenyl)methylideneamino]-2-hydroxybenzamide

C14H8BrCl2N3O4 — CID 126224872

IUPAC5-bromo-N-[(Z)-(2,4-dichloro-5-nitrophenyl)methylideneamino]-2-hydroxybenzamide
SMILESO=C(N/N=C\c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1cc(Br)ccc1O
InChIInChI=1S/C14H8BrCl2N3O4/c15-8-1-2-13(21)9(4-8)14(22)19-18-6-7-3-12(20(23)24)11(17)5-10(7)16/h1-6,21H,(H,19,22)/b18-6-
InChIKeyXFNIHSDGIYGJPF-FXBPXSCXSA-N
MW433.05 g/mol
LogP4.13
Rot. Bonds4

About 5-bromo-N-[(Z)-(2,4-dichloro-5-nitrophenyl)methylideneamino]-2-hydroxybenzamide

5-bromo-N-[(Z)-(2,4-dichloro-5-nitrophenyl)methylideneamino]-2-hydroxybenzamide (PubChem CID 126224872) has the molecular formula C14H8BrCl2N3O4 and a molecular weight of 433.05 g/mol. Its IUPAC name is 5-bromo-N-[(Z)-(2,4-dichloro-5-nitrophenyl)methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[(Z)-(2,4-dichloro-5-nitrophenyl)methylideneamino]-2-hydroxybenzamide
PubChem CID126224872
Molecular FormulaC14H8BrCl2N3O4
Molecular Weight433.05 g/mol
Exact Mass430.91
IUPAC Name5-bromo-N-[(Z)-(2,4-dichloro-5-nitrophenyl)methylideneamino]-2-hydroxybenzamide
SMILESO=C(N/N=C\c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1cc(Br)ccc1O
InChIInChI=1S/C14H8BrCl2N3O4/c15-8-1-2-13(21)9(4-8)14(22)19-18-6-7-3-12(20(23)24)11(17)5-10(7)16/h1-6,21H,(H,19,22)/b18-6-
InChIKeyXFNIHSDGIYGJPF-FXBPXSCXSA-N
XLogP4.13
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.05
LogP ≤ 54.13
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

5-bromo-N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-hydroxybenzamide
CID 136863460
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-chloro-2-hydroxybenzamide
CID 135615369
5-bromo-N-[(2,6-dichlorophenyl)methylideneamino]-2-hydroxybenzamide
CID 2246619
2-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitrobenzamide
CID 3358963
5-bromo-2-chloro-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide
CID 135455727
5-bromo-N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 762173
4-chloro-N-[(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 3405547
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methyl-4-nitrobenzamide
CID 135683510
5-bromo-2-hydroxy-N-[(E)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 96869284
5-bromo-N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-hydroxybenzamide
CID 96892276
5-bromo-N-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 1282664
2-chloro-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135696942

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(Z)-(2,4-dichloro-5-nitrophenyl)methylideneamino]-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-[(Z)-(2,4-dichloro-5-nitrophenyl)methylideneamino]-2-hydroxybenzamide (CID 126224872) is 5-bromo-N-[(Z)-(2,4-dichloro-5-nitrophenyl)methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-[(Z)-(2,4-dichloro-5-nitrophenyl)methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-[(Z)-(2,4-dichloro-5-nitrophenyl)methylideneamino]-2-hydroxybenzamide is O=C(N/N=C\c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-N-[(Z)-(2,4-dichloro-5-nitrophenyl)methylideneamino]-2-hydroxybenzamide?
The InChIKey is XFNIHSDGIYGJPF-FXBPXSCXSA-N. The full InChI is InChI=1S/C14H8BrCl2N3O4/c15-8-1-2-13(21)9(4-8)14(22)19-18-6-7-3-12(20(23)24)11(17)5-10(7)16/h1-6,21H,(H,19,22)/b18-6-.
What are the key properties of 5-bromo-N-[(Z)-(2,4-dichloro-5-nitrophenyl)methylideneamino]-2-hydroxybenzamide?
5-bromo-N-[(Z)-(2,4-dichloro-5-nitrophenyl)methylideneamino]-2-hydroxybenzamide has a molecular weight of 433.05 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(Z)-(2,4-dichloro-5-nitrophenyl)methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 126224872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).