N-[(2,3-difluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide

C16H14F2N2O3 — CID 4924837

IUPACN-[(2,3-difluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)NN=Cc2cccc(F)c2F)cc1
InChIInChI=1S/C16H14F2N2O3/c1-22-12-5-7-13(8-6-12)23-10-15(21)20-19-9-11-3-2-4-14(17)16(11)18/h2-9H,10H2,1H3,(H,20,21)
InChIKeyKVEHSZOUVYYTQJ-UHFFFAOYSA-N
MW320.30 g/mol
LogP2.50
Rot. Bonds6

About N-[(2,3-difluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide

N-[(2,3-difluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide (PubChem CID 4924837) has the molecular formula C16H14F2N2O3 and a molecular weight of 320.30 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
PubChem CID4924837
Molecular FormulaC16H14F2N2O3
Molecular Weight320.30 g/mol
Exact Mass320.10
IUPAC NameN-[(2,3-difluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)NN=Cc2cccc(F)c2F)cc1
InChIInChI=1S/C16H14F2N2O3/c1-22-12-5-7-13(8-6-12)23-10-15(21)20-19-9-11-3-2-4-14(17)16(11)18/h2-9H,10H2,1H3,(H,20,21)
InChIKeyKVEHSZOUVYYTQJ-UHFFFAOYSA-N
XLogP2.50
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[(E)-(2,6-difluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6899366
methyl 2-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 9217614
2-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 912843
N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 42995419
[2-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] acetate
CID 5410556
N-[(E)-(4-fluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6893389
N-[(2,3-difluorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 4924840
2-(4-methoxyphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
CID 6870627
N-[(2-fluorophenyl)methylideneamino]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 19176108
N-[(3,5-dimethoxyphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4236788
2-(2-fluorophenoxy)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135852687
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 6911040

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-[(2,3-difluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide (CID 4924837) is N-[(2,3-difluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[(2,3-difluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-[(2,3-difluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)NN=Cc2cccc(F)c2F)cc1.
What is the InChIKey of N-[(2,3-difluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide?
The InChIKey is KVEHSZOUVYYTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O3/c1-22-12-5-7-13(8-6-12)23-10-15(21)20-19-9-11-3-2-4-14(17)16(11)18/h2-9H,10H2,1H3,(H,20,21).
What are the key properties of N-[(2,3-difluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide?
N-[(2,3-difluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide has a molecular weight of 320.30 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 4924837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).