N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide

C18H18F2N2O4 — CID 42991594

IUPACN-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide
SMILESCCOc1ccccc1OCC(=O)N/N=C/c1ccccc1OC(F)F
InChIInChI=1S/C18H18F2N2O4/c1-2-24-15-9-5-6-10-16(15)25-12-17(23)22-21-11-13-7-3-4-8-14(13)26-18(19)20/h3-11,18H,2,12H2,1H3,(H,22,23)/b21-11+
InChIKeyISUYRMYBWREFTJ-SRZZPIQSSA-N
MW364.35 g/mol
LogP3.22
Rot. Bonds9

About N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide

N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide (PubChem CID 42991594) has the molecular formula C18H18F2N2O4 and a molecular weight of 364.35 g/mol. Its IUPAC name is N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide
PubChem CID42991594
Molecular FormulaC18H18F2N2O4
Molecular Weight364.35 g/mol
Exact Mass364.12
IUPAC NameN-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide
SMILESCCOc1ccccc1OCC(=O)N/N=C/c1ccccc1OC(F)F
InChIInChI=1S/C18H18F2N2O4/c1-2-24-15-9-5-6-10-16(15)25-12-17(23)22-21-11-13-7-3-4-8-14(13)26-18(19)20/h3-11,18H,2,12H2,1H3,(H,22,23)/b21-11+
InChIKeyISUYRMYBWREFTJ-SRZZPIQSSA-N
XLogP3.22
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-benzylphenoxy)-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]acetamide
CID 9359679
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 9316682
2-(4-chlorophenoxy)-N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]acetamide
CID 9358652
N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 9357743
N-(benzylideneamino)-2-(2-ethoxyphenoxy)acetamide
CID 724075
2-(2-ethoxyphenoxy)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 6044087
N-[2-(difluoromethoxy)phenyl]-2-(2-ethoxyphenoxy)acetamide
CID 7941491
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7332490
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 135470918
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 135781705
2-(2-methoxyphenoxy)-N-[(E)-(2-propoxyphenyl)methylideneamino]acetamide
CID 6872121
N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 136720788

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide?
The IUPAC name of N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide (CID 42991594) is N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide.
What is the SMILES notation for N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide?
The canonical SMILES for N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide is CCOc1ccccc1OCC(=O)N/N=C/c1ccccc1OC(F)F.
What is the InChIKey of N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide?
The InChIKey is ISUYRMYBWREFTJ-SRZZPIQSSA-N. The full InChI is InChI=1S/C18H18F2N2O4/c1-2-24-15-9-5-6-10-16(15)25-12-17(23)22-21-11-13-7-3-4-8-14(13)26-18(19)20/h3-11,18H,2,12H2,1H3,(H,22,23)/b21-11+.
What are the key properties of N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide?
N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide has a molecular weight of 364.35 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide is sourced from PubChem (CID 42991594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).