N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide

C15H11BrFN3O4 — CID 9317033

IUPACN-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
SMILESO=C(COc1ccccc1F)N/N=C\c1ccc(Br)c([N+](=O)[O-])c1
InChIInChI=1S/C15H11BrFN3O4/c16-11-6-5-10(7-13(11)20(22)23)8-18-19-15(21)9-24-14-4-2-1-3-12(14)17/h1-8H,9H2,(H,19,21)/b18-8-
InChIKeyQSBHPINLXKDSOU-LSCVHKIXSA-N
MW396.17 g/mol
LogP3.03
Rot. Bonds6

About N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide

N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide (PubChem CID 9317033) has the molecular formula C15H11BrFN3O4 and a molecular weight of 396.17 g/mol. Its IUPAC name is N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
PubChem CID9317033
Molecular FormulaC15H11BrFN3O4
Molecular Weight396.17 g/mol
Exact Mass394.99
IUPAC NameN-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
SMILESO=C(COc1ccccc1F)N/N=C\c1ccc(Br)c([N+](=O)[O-])c1
InChIInChI=1S/C15H11BrFN3O4/c16-11-6-5-10(7-13(11)20(22)23)8-18-19-15(21)9-24-14-4-2-1-3-12(14)17/h1-8H,9H2,(H,19,21)/b18-8-
InChIKeyQSBHPINLXKDSOU-LSCVHKIXSA-N
XLogP3.03
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.17
LogP ≤ 53.03
H-Bond Donors ≤ 51
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'}

Analyze N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(Z)-[[2-(2-fluorophenoxy)acetyl]hydrazinylidene]methyl]-2-nitrophenolate
CID 9316823
N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7038077
N-[(2-bromophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 2695035
N-[(E)-[3-bromo-4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(2-nitrophenyl)acetamide
CID 126375829
N-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 9467225
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 9316822
2-(2-fluorophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 7787134
N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 3961255
2-(2-cyanophenoxy)-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide
CID 3316109
2-(2-fluorophenoxy)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
CID 6911035
2-(4-bromo-2-nitrophenoxy)-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide
CID 41270248
2-(2-bromo-4-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 4925945

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide (CID 9317033) is N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide is O=C(COc1ccccc1F)N/N=C\c1ccc(Br)c([N+](=O)[O-])c1.
What is the InChIKey of N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide?
The InChIKey is QSBHPINLXKDSOU-LSCVHKIXSA-N. The full InChI is InChI=1S/C15H11BrFN3O4/c16-11-6-5-10(7-13(11)20(22)23)8-18-19-15(21)9-24-14-4-2-1-3-12(14)17/h1-8H,9H2,(H,19,21)/b18-8-.
What are the key properties of N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide?
N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide has a molecular weight of 396.17 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 9317033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).