2-(2,5-dichlorophenoxy)-N-[(2-fluorophenyl)methylideneamino]acetamide

C15H11Cl2FN2O2 — CID 5153372

IUPAC2-(2,5-dichlorophenoxy)-N-[(2-fluorophenyl)methylideneamino]acetamide
SMILESO=C(COc1cc(Cl)ccc1Cl)NN=Cc1ccccc1F
InChIInChI=1S/C15H11Cl2FN2O2/c16-11-5-6-12(17)14(7-11)22-9-15(21)20-19-8-10-3-1-2-4-13(10)18/h1-8H,9H2,(H,20,21)
InChIKeyLROMTXVWKFGBJD-UHFFFAOYSA-N
MW341.17 g/mol
LogP3.66
Rot. Bonds5

About 2-(2,5-dichlorophenoxy)-N-[(2-fluorophenyl)methylideneamino]acetamide

2-(2,5-dichlorophenoxy)-N-[(2-fluorophenyl)methylideneamino]acetamide (PubChem CID 5153372) has the molecular formula C15H11Cl2FN2O2 and a molecular weight of 341.17 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-N-[(2-fluorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-N-[(2-fluorophenyl)methylideneamino]acetamide
PubChem CID5153372
Molecular FormulaC15H11Cl2FN2O2
Molecular Weight341.17 g/mol
Exact Mass340.02
IUPAC Name2-(2,5-dichlorophenoxy)-N-[(2-fluorophenyl)methylideneamino]acetamide
SMILESO=C(COc1cc(Cl)ccc1Cl)NN=Cc1ccccc1F
InChIInChI=1S/C15H11Cl2FN2O2/c16-11-5-6-12(17)14(7-11)22-9-15(21)20-19-8-10-3-1-2-4-13(10)18/h1-8H,9H2,(H,20,21)
InChIKeyLROMTXVWKFGBJD-UHFFFAOYSA-N
XLogP3.66
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.17
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dichlorophenoxy)-N-[(E)-(3-fluorophenyl)methylideneamino]acetamide
CID 19189624
2-(2,5-dichlorophenoxy)-N-[2-[[2-(2,5-dichlorophenoxy)acetyl]hydrazinylidene]ethylideneamino]acetamide
CID 5222965
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 135569525
N-[(E)-(2-fluorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
CID 5340045
2-(2,4-dichlorophenoxy)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 6153860
2-(2,5-dichlorophenoxy)-N-[(E)-(4-methylphenyl)methylideneamino]acetamide
CID 19189880
2-(2-tert-butylphenoxy)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide
CID 19189587
N-[(2,4-dichlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 3546155
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 136794072
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 9316822
2-(2-tert-butylphenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 7334234
2-(2-tert-butylphenoxy)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide
CID 19165091

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-N-[(2-fluorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2,5-dichlorophenoxy)-N-[(2-fluorophenyl)methylideneamino]acetamide (CID 5153372) is 2-(2,5-dichlorophenoxy)-N-[(2-fluorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-N-[(2-fluorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-N-[(2-fluorophenyl)methylideneamino]acetamide is O=C(COc1cc(Cl)ccc1Cl)NN=Cc1ccccc1F.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-N-[(2-fluorophenyl)methylideneamino]acetamide?
The InChIKey is LROMTXVWKFGBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FN2O2/c16-11-5-6-12(17)14(7-11)22-9-15(21)20-19-8-10-3-1-2-4-13(10)18/h1-8H,9H2,(H,20,21).
What are the key properties of 2-(2,5-dichlorophenoxy)-N-[(2-fluorophenyl)methylideneamino]acetamide?
2-(2,5-dichlorophenoxy)-N-[(2-fluorophenyl)methylideneamino]acetamide has a molecular weight of 341.17 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-N-[(2-fluorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 5153372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).