2-cyano-N-[(2-fluorophenyl)methylideneamino]acetamide

C10H8FN3O — CID 3955883

IUPAC2-cyano-N-[(2-fluorophenyl)methylideneamino]acetamide
SMILESN#CCC(=O)NN=Cc1ccccc1F
InChIInChI=1S/C10H8FN3O/c11-9-4-2-1-3-8(9)7-13-14-10(15)5-6-12/h1-4,7H,5H2,(H,14,15)
InChIKeyGUAKCQJDAYPSJZ-UHFFFAOYSA-N
MW205.19 g/mol
LogP1.19
Rot. Bonds3

About 2-cyano-N-[(2-fluorophenyl)methylideneamino]acetamide

2-cyano-N-[(2-fluorophenyl)methylideneamino]acetamide (PubChem CID 3955883) has the molecular formula C10H8FN3O and a molecular weight of 205.19 g/mol. Its IUPAC name is 2-cyano-N-[(2-fluorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(2-fluorophenyl)methylideneamino]acetamide
PubChem CID3955883
Molecular FormulaC10H8FN3O
Molecular Weight205.19 g/mol
Exact Mass205.07
IUPAC Name2-cyano-N-[(2-fluorophenyl)methylideneamino]acetamide
SMILESN#CCC(=O)NN=Cc1ccccc1F
InChIInChI=1S/C10H8FN3O/c11-9-4-2-1-3-8(9)7-13-14-10(15)5-6-12/h1-4,7H,5H2,(H,14,15)
InChIKeyGUAKCQJDAYPSJZ-UHFFFAOYSA-N
XLogP1.19
TPSA65.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 51.19
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'}

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Related Compounds

N-[(2-chlorophenyl)methylideneamino]-2-cyanoacetamide
CID 709280
N-[(E)-(2-chlorophenyl)methylideneamino]-2-cyanoacetamide
CID 6883998
N,N'-bis[(2-fluorophenyl)methylideneamino]heptanediamide
CID 4059659
2-cyano-N-[(2-methoxyphenyl)methylideneamino]acetamide
CID 739635
N-[(E)-(2-fluorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
CID 5340045
[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 117060553
4-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]benzamide
CID 5333160
2-fluoro-N-[(2-fluorophenyl)methylideneamino]benzamide
CID 2593233
2-cyano-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide
CID 6048140
N-(4-bromophenyl)-N'-[(2-fluorophenyl)methylideneamino]butanediamide
CID 3450603
N-(4-cyanophenyl)-N'-[(E)-(2-fluorophenyl)methylideneamino]oxamide
CID 19659771
N'-[(2-fluorophenyl)methylideneamino]-N-(4-methylphenyl)butanediamide
CID 4619789

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(2-fluorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-cyano-N-[(2-fluorophenyl)methylideneamino]acetamide (CID 3955883) is 2-cyano-N-[(2-fluorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-cyano-N-[(2-fluorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-cyano-N-[(2-fluorophenyl)methylideneamino]acetamide is N#CCC(=O)NN=Cc1ccccc1F.
What is the InChIKey of 2-cyano-N-[(2-fluorophenyl)methylideneamino]acetamide?
The InChIKey is GUAKCQJDAYPSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O/c11-9-4-2-1-3-8(9)7-13-14-10(15)5-6-12/h1-4,7H,5H2,(H,14,15).
What are the key properties of 2-cyano-N-[(2-fluorophenyl)methylideneamino]acetamide?
2-cyano-N-[(2-fluorophenyl)methylideneamino]acetamide has a molecular weight of 205.19 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(2-fluorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 3955883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).