N-[(2-chloro-6-fluorophenyl)methylideneamino]acetamide

C9H8ClFN2O — CID 4166236

IUPACN-[(2-chloro-6-fluorophenyl)methylideneamino]acetamide
SMILESCC(=O)NN=Cc1c(F)cccc1Cl
InChIInChI=1S/C9H8ClFN2O/c1-6(14)13-12-5-7-8(10)3-2-4-9(7)11/h2-5H,1H3,(H,13,14)
InChIKeyXBNYAUVTIPBGMJ-UHFFFAOYSA-N
MW214.63 g/mol
LogP1.95
Rot. Bonds2

About N-[(2-chloro-6-fluorophenyl)methylideneamino]acetamide

N-[(2-chloro-6-fluorophenyl)methylideneamino]acetamide (PubChem CID 4166236) has the molecular formula C9H8ClFN2O and a molecular weight of 214.63 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methylideneamino]acetamide
PubChem CID4166236
Molecular FormulaC9H8ClFN2O
Molecular Weight214.63 g/mol
Exact Mass214.03
IUPAC NameN-[(2-chloro-6-fluorophenyl)methylideneamino]acetamide
SMILESCC(=O)NN=Cc1c(F)cccc1Cl
InChIInChI=1S/C9H8ClFN2O/c1-6(14)13-12-5-7-8(10)3-2-4-9(7)11/h2-5H,1H3,(H,13,14)
InChIKeyXBNYAUVTIPBGMJ-UHFFFAOYSA-N
XLogP1.95
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.63
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

1-N,4-N-bis[(2-chloro-6-fluorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 3524205
N'-[(2-chloro-6-fluorophenyl)methylideneamino]-N-propan-2-ylpropanediamide
CID 3130667
N-[(2-chloro-6-fluorophenyl)methylideneamino]-3-methylbutanamide
CID 4157167
4-bromo-N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzamide
CID 5339119
N-[(2-chloro-6-fluorophenyl)methylideneamino]-2,2-diphenylacetamide
CID 4980565
N-[(2-chloro-6-fluorophenyl)methylideneamino]pyridine-2-carboxamide
CID 847586
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide
CID 6294643
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide
CID 6019936
(2S)-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(4-chlorophenyl)sulfanylpropanamide
CID 94837850
N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide
CID 94847587
methyl 4-[[2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-2-oxoacetyl]amino]benzoate
CID 133240896
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 5344234

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methylideneamino]acetamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methylideneamino]acetamide (CID 4166236) is N-[(2-chloro-6-fluorophenyl)methylideneamino]acetamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methylideneamino]acetamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methylideneamino]acetamide is CC(=O)NN=Cc1c(F)cccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methylideneamino]acetamide?
The InChIKey is XBNYAUVTIPBGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN2O/c1-6(14)13-12-5-7-8(10)3-2-4-9(7)11/h2-5H,1H3,(H,13,14).
What are the key properties of N-[(2-chloro-6-fluorophenyl)methylideneamino]acetamide?
N-[(2-chloro-6-fluorophenyl)methylideneamino]acetamide has a molecular weight of 214.63 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 4166236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).