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

C9H8ClFN2O — CID 6026096

IUPACN-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide
SMILESCC(=O)N/N=C\c1c(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)/b12-5-
InChIKeyXBNYAUVTIPBGMJ-XGICHPGQSA-N
MW214.63 g/mol
LogP1.95
Rot. Bonds2

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

N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide (PubChem CID 6026096) has the molecular formula C9H8ClFN2O and a molecular weight of 214.63 g/mol. Its IUPAC name is N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide
PubChem CID6026096
Molecular FormulaC9H8ClFN2O
Molecular Weight214.63 g/mol
Exact Mass214.03
IUPAC NameN-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide
SMILESCC(=O)N/N=C\c1c(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)/b12-5-
InChIKeyXBNYAUVTIPBGMJ-XGICHPGQSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide?
The IUPAC name of N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide (CID 6026096) is N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide.
What is the SMILES notation for N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide?
The canonical SMILES for N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide is CC(=O)N/N=C\c1c(F)cccc1Cl.
What is the InChIKey of N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide?
The InChIKey is XBNYAUVTIPBGMJ-XGICHPGQSA-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)/b12-5-.
What are the key properties of N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide?
N-[(Z)-(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-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 6026096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).