N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-4-chlorobenzamide

C14H9BrClN3O4 — CID 135643467

IUPACN-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-4-chlorobenzamide
SMILESO=C(N/N=C\c1cc(Br)cc([N+](=O)[O-])c1O)c1ccc(Cl)cc1
InChIInChI=1S/C14H9BrClN3O4/c15-10-5-9(13(20)12(6-10)19(22)23)7-17-18-14(21)8-1-3-11(16)4-2-8/h1-7,20H,(H,18,21)/b17-7-
InChIKeyFDLZCOZGPNIGHT-IDUWFGFVSA-N
MW398.60 g/mol
LogP3.48
Rot. Bonds4

About N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-4-chlorobenzamide

N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-4-chlorobenzamide (PubChem CID 135643467) has the molecular formula C14H9BrClN3O4 and a molecular weight of 398.60 g/mol. Its IUPAC name is N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-4-chlorobenzamide
PubChem CID135643467
Molecular FormulaC14H9BrClN3O4
Molecular Weight398.60 g/mol
Exact Mass396.95
IUPAC NameN-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-4-chlorobenzamide
SMILESO=C(N/N=C\c1cc(Br)cc([N+](=O)[O-])c1O)c1ccc(Cl)cc1
InChIInChI=1S/C14H9BrClN3O4/c15-10-5-9(13(20)12(6-10)19(22)23)7-17-18-14(21)8-1-3-11(16)4-2-8/h1-7,20H,(H,18,21)/b17-7-
InChIKeyFDLZCOZGPNIGHT-IDUWFGFVSA-N
XLogP3.48
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.60
LogP ≤ 53.48
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-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135604353
4-bromo-2-[(E)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-6-nitrophenolate
CID 7353787
N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-4-tert-butylbenzamide
CID 135768355
4-chloro-N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]benzamide
CID 135579203
4-[(4-chlorobenzoyl)amino]-N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 171135932
N-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]pyridine-3-carboxamide
CID 3503714
N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 135614429
2-bromo-N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135579521
5-bromo-N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-hydroxybenzamide
CID 136863460
3-chloro-N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135784566
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorobenzamide
CID 136766998
N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-methoxybenzamide
CID 135628735

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-4-chlorobenzamide?
The IUPAC name of N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-4-chlorobenzamide (CID 135643467) is N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-4-chlorobenzamide.
What is the SMILES notation for N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-4-chlorobenzamide?
The canonical SMILES for N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-4-chlorobenzamide is O=C(N/N=C\c1cc(Br)cc([N+](=O)[O-])c1O)c1ccc(Cl)cc1.
What is the InChIKey of N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-4-chlorobenzamide?
The InChIKey is FDLZCOZGPNIGHT-IDUWFGFVSA-N. The full InChI is InChI=1S/C14H9BrClN3O4/c15-10-5-9(13(20)12(6-10)19(22)23)7-17-18-14(21)8-1-3-11(16)4-2-8/h1-7,20H,(H,18,21)/b17-7-.
What are the key properties of N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-4-chlorobenzamide?
N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-4-chlorobenzamide has a molecular weight of 398.60 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-4-chlorobenzamide is sourced from PubChem (CID 135643467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).