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

C14H10BrN3O4 — CID 135604353

IUPACN-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)c1ccccc1
InChIInChI=1S/C14H10BrN3O4/c15-11-6-10(13(19)12(7-11)18(21)22)8-16-17-14(20)9-4-2-1-3-5-9/h1-8,19H,(H,17,20)/b16-8+
InChIKeyNOCLBNOITLMAKE-LZYBPNLTSA-N
MW364.16 g/mol
LogP2.83
Rot. Bonds4

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

N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide (PubChem CID 135604353) has the molecular formula C14H10BrN3O4 and a molecular weight of 364.16 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
PubChem CID135604353
Molecular FormulaC14H10BrN3O4
Molecular Weight364.16 g/mol
Exact Mass362.99
IUPAC NameN-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)c1ccccc1
InChIInChI=1S/C14H10BrN3O4/c15-11-6-10(13(19)12(7-11)18(21)22)8-16-17-14(20)9-4-2-1-3-5-9/h1-8,19H,(H,17,20)/b16-8+
InChIKeyNOCLBNOITLMAKE-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_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

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
2-bromo-N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135579521
N-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]pyridine-3-carboxamide
CID 3503714
N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-methoxybenzamide
CID 135628735
N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 135614429
5-bromo-N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-hydroxybenzamide
CID 136863460
3-bromo-N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135905938
[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]thiourea
CID 4300530
[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]thiourea
CID 135684219
N-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-bromonaphthalen-1-yl)acetamide
CID 3923797
4-bromo-2-[(E)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-6-nitrophenolate
CID 7353787

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide (CID 135604353) is N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide is O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)c1ccccc1.
What is the InChIKey of N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide?
The InChIKey is NOCLBNOITLMAKE-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H10BrN3O4/c15-11-6-10(13(19)12(7-11)18(21)22)8-16-17-14(20)9-4-2-1-3-5-9/h1-8,19H,(H,17,20)/b16-8+.
What are the key properties of N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide?
N-[(E)-(5-bromo-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 N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 135604353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).