2-(2-bromo-4-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide

C15H11BrClN3O4 — CID 4925945

IUPAC2-(2-bromo-4-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
SMILESO=C(COc1ccc(Cl)cc1Br)NN=Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H11BrClN3O4/c16-12-7-11(17)5-6-14(12)24-9-15(21)19-18-8-10-3-1-2-4-13(10)20(22)23/h1-8H,9H2,(H,19,21)
InChIKeyKNGJOHIFAOCNHG-UHFFFAOYSA-N
MW412.63 g/mol
LogP3.54
Rot. Bonds6

About 2-(2-bromo-4-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide

2-(2-bromo-4-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide (PubChem CID 4925945) has the molecular formula C15H11BrClN3O4 and a molecular weight of 412.63 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
PubChem CID4925945
Molecular FormulaC15H11BrClN3O4
Molecular Weight412.63 g/mol
Exact Mass410.96
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
SMILESO=C(COc1ccc(Cl)cc1Br)NN=Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H11BrClN3O4/c16-12-7-11(17)5-6-14(12)24-9-15(21)19-18-8-10-3-1-2-4-13(10)20(22)23/h1-8H,9H2,(H,19,21)
InChIKeyKNGJOHIFAOCNHG-UHFFFAOYSA-N
XLogP3.54
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.63
LogP ≤ 53.54
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'}

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 766399
2-(2-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 958366
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 6899811
N-[(2,4-dichlorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 1381839
2-(3-chlorophenoxy)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 7039264
2-(2,4-dichlorophenoxy)-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide
CID 1246133
2-(2-bromo-4-chlorophenoxy)-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 135699251
2-(2-methylphenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 966530
2-(2-ethoxyphenoxy)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 6044087
2-(2-bromo-4-tert-butylphenoxy)-N-[(2-chlorophenyl)methylideneamino]acetamide
CID 4922179
2-(2-ethylphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
CID 19182341
2-(2-bromo-4-chlorophenoxy)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 135678479

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide (CID 4925945) is 2-(2-bromo-4-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide is O=C(COc1ccc(Cl)cc1Br)NN=Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide?
The InChIKey is KNGJOHIFAOCNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClN3O4/c16-12-7-11(17)5-6-14(12)24-9-15(21)19-18-8-10-3-1-2-4-13(10)20(22)23/h1-8H,9H2,(H,19,21).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide?
2-(2-bromo-4-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide has a molecular weight of 412.63 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 4925945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).