2-(2-benzylphenoxy)-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]acetamide

C23H20F2N2O3 — CID 9359679

IUPAC2-(2-benzylphenoxy)-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]acetamide
SMILESO=C(COc1ccccc1Cc1ccccc1)N/N=C\c1ccccc1OC(F)F
InChIInChI=1S/C23H20F2N2O3/c24-23(25)30-21-13-7-5-11-19(21)15-26-27-22(28)16-29-20-12-6-4-10-18(20)14-17-8-2-1-3-9-17/h1-13,15,23H,14,16H2,(H,27,28)/b26-15-
InChIKeyUXERJSFGOATDGG-YSMPRRRNSA-N
MW410.42 g/mol
LogP4.41
Rot. Bonds9

About 2-(2-benzylphenoxy)-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]acetamide

2-(2-benzylphenoxy)-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]acetamide (PubChem CID 9359679) has the molecular formula C23H20F2N2O3 and a molecular weight of 410.42 g/mol. Its IUPAC name is 2-(2-benzylphenoxy)-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-benzylphenoxy)-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]acetamide
PubChem CID9359679
Molecular FormulaC23H20F2N2O3
Molecular Weight410.42 g/mol
Exact Mass410.14
IUPAC Name2-(2-benzylphenoxy)-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]acetamide
SMILESO=C(COc1ccccc1Cc1ccccc1)N/N=C\c1ccccc1OC(F)F
InChIInChI=1S/C23H20F2N2O3/c24-23(25)30-21-13-7-5-11-19(21)15-26-27-22(28)16-29-20-12-6-4-10-18(20)14-17-8-2-1-3-9-17/h1-13,15,23H,14,16H2,(H,27,28)/b26-15-
InChIKeyUXERJSFGOATDGG-YSMPRRRNSA-N
XLogP4.41
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 54.41
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'}

Analyze 2-(2-benzylphenoxy)-N-[(Z)-[2-(difluoromethoxy)phenyl]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

N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 42991594
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 9316682
2-(2-benzylphenoxy)-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]acetamide
CID 9359690
2-(2-benzylphenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
CID 9359665
2-(2-benzylphenoxy)-N-[(Z)-(3,4-difluorophenyl)methylideneamino]acetamide
CID 9359716
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-thiophen-2-ylacetamide
CID 7516704
2-(2-benzylphenoxy)-N-methylacetamide
CID 7661700
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8882962
2-(2-benzylphenoxy)-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]acetamide
CID 9359661
2-[2-[[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 1104421
2-[2-[[[2-(2,3-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 1104419
N-[[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-phenoxyethoxy)benzamide
CID 2383085

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylphenoxy)-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]acetamide?
The IUPAC name of 2-(2-benzylphenoxy)-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]acetamide (CID 9359679) is 2-(2-benzylphenoxy)-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(2-benzylphenoxy)-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(2-benzylphenoxy)-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]acetamide is O=C(COc1ccccc1Cc1ccccc1)N/N=C\c1ccccc1OC(F)F.
What is the InChIKey of 2-(2-benzylphenoxy)-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]acetamide?
The InChIKey is UXERJSFGOATDGG-YSMPRRRNSA-N. The full InChI is InChI=1S/C23H20F2N2O3/c24-23(25)30-21-13-7-5-11-19(21)15-26-27-22(28)16-29-20-12-6-4-10-18(20)14-17-8-2-1-3-9-17/h1-13,15,23H,14,16H2,(H,27,28)/b26-15-.
What are the key properties of 2-(2-benzylphenoxy)-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]acetamide?
2-(2-benzylphenoxy)-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]acetamide has a molecular weight of 410.42 g/mol, XLogP of 4.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylphenoxy)-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]acetamide is sourced from PubChem (CID 9359679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).