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

C14H9Br2N3O5 — CID 136863460

IUPAC5-bromo-N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-hydroxybenzamide
SMILESO=C(N/N=C\c1cc(Br)cc([N+](=O)[O-])c1O)c1cc(Br)ccc1O
InChIInChI=1S/C14H9Br2N3O5/c15-8-1-2-12(20)10(4-8)14(22)18-17-6-7-3-9(16)5-11(13(7)21)19(23)24/h1-6,20-21H,(H,18,22)/b17-6-
InChIKeyYBCFVHWCVJFHSO-FMQZQXMHSA-N
MW459.05 g/mol
LogP3.29
Rot. Bonds4

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

5-bromo-N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-hydroxybenzamide (PubChem CID 136863460) has the molecular formula C14H9Br2N3O5 and a molecular weight of 459.05 g/mol. Its IUPAC name is 5-bromo-N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-hydroxybenzamide
PubChem CID136863460
Molecular FormulaC14H9Br2N3O5
Molecular Weight459.05 g/mol
Exact Mass456.89
IUPAC Name5-bromo-N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-hydroxybenzamide
SMILESO=C(N/N=C\c1cc(Br)cc([N+](=O)[O-])c1O)c1cc(Br)ccc1O
InChIInChI=1S/C14H9Br2N3O5/c15-8-1-2-12(20)10(4-8)14(22)18-17-6-7-3-9(16)5-11(13(7)21)19(23)24/h1-6,20-21H,(H,18,22)/b17-6-
InChIKeyYBCFVHWCVJFHSO-FMQZQXMHSA-N
XLogP3.29
TPSA125.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.05
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

2-bromo-N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135579521
N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135604353
5-bromo-N-[(Z)-(2,4-dichloro-5-nitrophenyl)methylideneamino]-2-hydroxybenzamide
CID 126224872
N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-methoxybenzamide
CID 135628735
N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-4-chlorobenzamide
CID 135643467
N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-4-tert-butylbenzamide
CID 135768355
N-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]pyridine-3-carboxamide
CID 3503714
[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]thiourea
CID 4300530
[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]thiourea
CID 135684219
N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 135614429
N-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-1-methyl-4-nitropyrazole-3-carboxamide
CID 4163851
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-chloro-2-hydroxybenzamide
CID 135615369

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-hydroxybenzamide (CID 136863460) is 5-bromo-N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-hydroxybenzamide is O=C(N/N=C\c1cc(Br)cc([N+](=O)[O-])c1O)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-hydroxybenzamide?
The InChIKey is YBCFVHWCVJFHSO-FMQZQXMHSA-N. The full InChI is InChI=1S/C14H9Br2N3O5/c15-8-1-2-12(20)10(4-8)14(22)18-17-6-7-3-9(16)5-11(13(7)21)19(23)24/h1-6,20-21H,(H,18,22)/b17-6-.
What are the key properties of 5-bromo-N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-hydroxybenzamide?
5-bromo-N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-hydroxybenzamide has a molecular weight of 459.05 g/mol, XLogP of 3.29, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 136863460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).