N-[(2,6-difluorophenyl)methyl]-2-hydrazinylidene-3-imino-4-oxobutanimidoyl chloride

C11H9ClF2N4O — CID 168911365

IUPACN-[(2,6-difluorophenyl)methyl]-2-hydrazinylidene-3-imino-4-oxobutanimidoyl chloride
SMILES[H]/N=C(\C=O)C(=NN)/C(Cl)=N/Cc1c(F)cccc1F
InChIInChI=1S/C11H9ClF2N4O/c12-11(10(18-16)9(15)5-19)17-4-6-7(13)2-1-3-8(6)14/h1-3,5,15H,4,16H2/b15-9+,17-11-,18-10?
InChIKeyJSEUGPKHVRRTSX-GJJKZZKPSA-N
MW286.67 g/mol
LogP1.64
Rot. Bonds5

About N-[(2,6-difluorophenyl)methyl]-2-hydrazinylidene-3-imino-4-oxobutanimidoyl chloride

N-[(2,6-difluorophenyl)methyl]-2-hydrazinylidene-3-imino-4-oxobutanimidoyl chloride (PubChem CID 168911365) has the molecular formula C11H9ClF2N4O and a molecular weight of 286.67 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-2-hydrazinylidene-3-imino-4-oxobutanimidoyl chloride.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-2-hydrazinylidene-3-imino-4-oxobutanimidoyl chloride
PubChem CID168911365
Molecular FormulaC11H9ClF2N4O
Molecular Weight286.67 g/mol
Exact Mass286.04
IUPAC NameN-[(2,6-difluorophenyl)methyl]-2-hydrazinylidene-3-imino-4-oxobutanimidoyl chloride
SMILES[H]/N=C(\C=O)C(=NN)/C(Cl)=N/Cc1c(F)cccc1F
InChIInChI=1S/C11H9ClF2N4O/c12-11(10(18-16)9(15)5-19)17-4-6-7(13)2-1-3-8(6)14/h1-3,5,15H,4,16H2/b15-9+,17-11-,18-10?
InChIKeyJSEUGPKHVRRTSX-GJJKZZKPSA-N
XLogP1.64
TPSA91.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.67
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-2-hydrazinylidene-3-imino-4-oxobutanimidoyl chloride?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-2-hydrazinylidene-3-imino-4-oxobutanimidoyl chloride (CID 168911365) is N-[(2,6-difluorophenyl)methyl]-2-hydrazinylidene-3-imino-4-oxobutanimidoyl chloride.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-2-hydrazinylidene-3-imino-4-oxobutanimidoyl chloride?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-2-hydrazinylidene-3-imino-4-oxobutanimidoyl chloride is [H]/N=C(\C=O)C(=NN)/C(Cl)=N/Cc1c(F)cccc1F.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-2-hydrazinylidene-3-imino-4-oxobutanimidoyl chloride?
The InChIKey is JSEUGPKHVRRTSX-GJJKZZKPSA-N. The full InChI is InChI=1S/C11H9ClF2N4O/c12-11(10(18-16)9(15)5-19)17-4-6-7(13)2-1-3-8(6)14/h1-3,5,15H,4,16H2/b15-9+,17-11-,18-10?.
What are the key properties of N-[(2,6-difluorophenyl)methyl]-2-hydrazinylidene-3-imino-4-oxobutanimidoyl chloride?
N-[(2,6-difluorophenyl)methyl]-2-hydrazinylidene-3-imino-4-oxobutanimidoyl chloride has a molecular weight of 286.67 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-2-hydrazinylidene-3-imino-4-oxobutanimidoyl chloride is sourced from PubChem (CID 168911365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).