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

C11H9F2N3O2 — CID 6905317

IUPAC2-cyano-N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]acetamide
SMILESN#CCC(=O)N/N=C/c1ccccc1OC(F)F
InChIInChI=1S/C11H9F2N3O2/c12-11(13)18-9-4-2-1-3-8(9)7-15-16-10(17)5-6-14/h1-4,7,11H,5H2,(H,16,17)/b15-7+
InChIKeyKHXXROZIDFQJEI-VIZOYTHASA-N
MW253.21 g/mol
LogP1.65
Rot. Bonds5

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

2-cyano-N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]acetamide (PubChem CID 6905317) has the molecular formula C11H9F2N3O2 and a molecular weight of 253.21 g/mol. Its IUPAC name is 2-cyano-N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]acetamide
PubChem CID6905317
Molecular FormulaC11H9F2N3O2
Molecular Weight253.21 g/mol
Exact Mass253.07
IUPAC Name2-cyano-N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]acetamide
SMILESN#CCC(=O)N/N=C/c1ccccc1OC(F)F
InChIInChI=1S/C11H9F2N3O2/c12-11(13)18-9-4-2-1-3-8(9)7-15-16-10(17)5-6-14/h1-4,7,11H,5H2,(H,16,17)/b15-7+
InChIKeyKHXXROZIDFQJEI-VIZOYTHASA-N
XLogP1.65
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 51.65
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-cyano-N-[(E)-[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]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 6899616
2-hydroxy-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
CID 9563156
2-cyano-N'-[(Z)-(2-{[(2E)-3-phenylprop-2-en-1-yl]oxy}phenyl)methylidene]acetohydrazide
CID 25237181
N'-[(E)-(2-propoxyphenyl)methylidene]cyclopropanecarbohydrazide
CID 25237186
N-[(Z)-[3-[(E)-cinnamyl]oxybenzylidene]amino]-2-cyano-acetamide
CID 25237201
N'-(2-isopropoxybenzylidene)cyclopropanecarbohydrazide
CID 6874718
N'-[(1E)-[4-(benzyloxy)phenyl]methylidene]-2-cyanoacetohydrazide
CID 9559995
2-Cyano-N'-[(E)-(3-phenoxyphenyl)methylidene]acetohydrazide
CID 9629329
N-[(E)-1-[4-(difluoromethoxy)phenyl]propylideneamino]acetamide
CID 9641196
2-cyano-N'-[(Z)-(4-{[(2E)-3-phenylprop-2-en-1-yl]oxy}phenyl)methylidene]acetohydrazide
CID 25237182
N'-(4-Methoxybenzylidene)acetohydrazide
CID 9665420
N,N'-bis[(2-methoxyphenyl)methylideneamino]oxamide
CID 243467

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]acetamide?
The IUPAC name of 2-cyano-N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]acetamide (CID 6905317) is 2-cyano-N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-cyano-N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-cyano-N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]acetamide is N#CCC(=O)N/N=C/c1ccccc1OC(F)F.
What is the InChIKey of 2-cyano-N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]acetamide?
The InChIKey is KHXXROZIDFQJEI-VIZOYTHASA-N. The full InChI is InChI=1S/C11H9F2N3O2/c12-11(13)18-9-4-2-1-3-8(9)7-15-16-10(17)5-6-14/h1-4,7,11H,5H2,(H,16,17)/b15-7+.
What are the key properties of 2-cyano-N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]acetamide?
2-cyano-N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]acetamide has a molecular weight of 253.21 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]acetamide is sourced from PubChem (CID 6905317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).