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

C22H18F2N2O2 — CID 9359716

IUPAC2-(2-benzylphenoxy)-N-[(Z)-(3,4-difluorophenyl)methylideneamino]acetamide
SMILESO=C(COc1ccccc1Cc1ccccc1)N/N=C\c1ccc(F)c(F)c1
InChIInChI=1S/C22H18F2N2O2/c23-19-11-10-17(13-20(19)24)14-25-26-22(27)15-28-21-9-5-4-8-18(21)12-16-6-2-1-3-7-16/h1-11,13-14H,12,15H2,(H,26,27)/b25-14-
InChIKeyVYIILPUMEZLCCG-QFEZKATASA-N
MW380.39 g/mol
LogP4.08
Rot. Bonds7

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

2-(2-benzylphenoxy)-N-[(Z)-(3,4-difluorophenyl)methylideneamino]acetamide (PubChem CID 9359716) has the molecular formula C22H18F2N2O2 and a molecular weight of 380.39 g/mol. Its IUPAC name is 2-(2-benzylphenoxy)-N-[(Z)-(3,4-difluorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-benzylphenoxy)-N-[(Z)-(3,4-difluorophenyl)methylideneamino]acetamide
PubChem CID9359716
Molecular FormulaC22H18F2N2O2
Molecular Weight380.39 g/mol
Exact Mass380.13
IUPAC Name2-(2-benzylphenoxy)-N-[(Z)-(3,4-difluorophenyl)methylideneamino]acetamide
SMILESO=C(COc1ccccc1Cc1ccccc1)N/N=C\c1ccc(F)c(F)c1
InChIInChI=1S/C22H18F2N2O2/c23-19-11-10-17(13-20(19)24)14-25-26-22(27)15-28-21-9-5-4-8-18(21)12-16-6-2-1-3-7-16/h1-11,13-14H,12,15H2,(H,26,27)/b25-14-
InChIKeyVYIILPUMEZLCCG-QFEZKATASA-N
XLogP4.08
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 54.08
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'}

Analyze 2-(2-benzylphenoxy)-N-[(Z)-(3,4-difluorophenyl)methylideneamino]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

2-(2-benzylphenoxy)-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]acetamide
CID 9359661
2-(2-benzylphenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
CID 9359665
2-(2-benzylphenoxy)-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]acetamide
CID 9359679
2-(2-benzylphenoxy)-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]acetamide
CID 9359690
N-[(Z)-(3,4-difluorophenyl)methylideneamino]-2-(3,5-dimethylphenoxy)acetamide
CID 9315634
2-(2-chlorophenoxy)-N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]acetamide
CID 8979030
N-[(4-chlorophenyl)methylideneamino]-2-[2-[(4-chlorophenyl)sulfanylmethyl]phenoxy]acetamide
CID 2820754
2-(2-fluorophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 7787134
2-(4-tert-butylphenoxy)-N-[(E)-(3,4-difluorophenyl)methylideneamino]acetamide
CID 6901833
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(2-ethylphenoxy)acetamide
CID 19182935
N-(benzylideneamino)-2-(2-hydroxyphenoxy)acetamide
CID 2308885
N'-[2-(2-benzylphenoxy)acetyl]-2-(3-fluorophenyl)acetohydrazide
CID 27225851

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylphenoxy)-N-[(Z)-(3,4-difluorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-benzylphenoxy)-N-[(Z)-(3,4-difluorophenyl)methylideneamino]acetamide (CID 9359716) is 2-(2-benzylphenoxy)-N-[(Z)-(3,4-difluorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-benzylphenoxy)-N-[(Z)-(3,4-difluorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-benzylphenoxy)-N-[(Z)-(3,4-difluorophenyl)methylideneamino]acetamide is O=C(COc1ccccc1Cc1ccccc1)N/N=C\c1ccc(F)c(F)c1.
What is the InChIKey of 2-(2-benzylphenoxy)-N-[(Z)-(3,4-difluorophenyl)methylideneamino]acetamide?
The InChIKey is VYIILPUMEZLCCG-QFEZKATASA-N. The full InChI is InChI=1S/C22H18F2N2O2/c23-19-11-10-17(13-20(19)24)14-25-26-22(27)15-28-21-9-5-4-8-18(21)12-16-6-2-1-3-7-16/h1-11,13-14H,12,15H2,(H,26,27)/b25-14-.
What are the key properties of 2-(2-benzylphenoxy)-N-[(Z)-(3,4-difluorophenyl)methylideneamino]acetamide?
2-(2-benzylphenoxy)-N-[(Z)-(3,4-difluorophenyl)methylideneamino]acetamide has a molecular weight of 380.39 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylphenoxy)-N-[(Z)-(3,4-difluorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 9359716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).