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

C9H8ClFN2O2 — CID 739695

IUPACN-[(2-chloro-6-fluorophenyl)methylideneamino]-2-hydroxyacetamide
SMILESO=C(CO)NN=Cc1c(F)cccc1Cl
InChIInChI=1S/C9H8ClFN2O2/c10-7-2-1-3-8(11)6(7)4-12-13-9(15)5-14/h1-4,14H,5H2,(H,13,15)
InChIKeyKQZBKRPKNVQONP-UHFFFAOYSA-N
MW230.63 g/mol
LogP0.92
Rot. Bonds3

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

N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-hydroxyacetamide (PubChem CID 739695) has the molecular formula C9H8ClFN2O2 and a molecular weight of 230.63 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methylideneamino]-2-hydroxyacetamide
PubChem CID739695
Molecular FormulaC9H8ClFN2O2
Molecular Weight230.63 g/mol
Exact Mass230.03
IUPAC NameN-[(2-chloro-6-fluorophenyl)methylideneamino]-2-hydroxyacetamide
SMILESO=C(CO)NN=Cc1c(F)cccc1Cl
InChIInChI=1S/C9H8ClFN2O2/c10-7-2-1-3-8(11)6(7)4-12-13-9(15)5-14/h1-4,14H,5H2,(H,13,15)
InChIKeyKQZBKRPKNVQONP-UHFFFAOYSA-N
XLogP0.92
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.63
LogP ≤ 50.92
H-Bond Donors ≤ 52
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'-[(E)-(2-chloro-6-fluorophenyl)methylidene]cyclopropanecarbohydrazide
CID 5334886
2-Hydroxy-propionic acid (2,3-dichloro-benzylidene)-hydrazide
CID 9594248
N'-(4-chlorobenzylidene)-2-hydroxyacetohydrazide
CID 6895620
N'-(2-fluorobenzylidene)-2-hydroxyacetohydrazide
CID 5340423
Lactic acid, 2-methyl-, (2,6-dichlorobenzylidene)hydrazide
CID 9554213
Acetic acid, (2,6-dichlorobenzylidene)hydrazide
CID 9554212
Acetic acid, hydroxy-, ((2-chlorophenyl)methylene)hydrazide, (E)-
CID 9579898
Hydroxy-acetic acid (2,3-dichloro-benzylidene)-hydrazide
CID 9557178
Acetic acid, hydroxy-, (1-(2-chlorophenyl)ethylidene)hydrazide, (E)-
CID 5487238
Acetic acid, aminooxo-, ((2-chlorophenyl)methylene)hydrazide, (E)-
CID 6907742
Lactic acid, (2,6-dichlorobenzylidene)hydrazide
CID 9554214
Acetic acid, methoxy-, ((2-chlorophenyl)methylene)hydrazide, (E)-
CID 9589034

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-hydroxyacetamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-hydroxyacetamide (CID 739695) is N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-hydroxyacetamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-hydroxyacetamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-hydroxyacetamide is O=C(CO)NN=Cc1c(F)cccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-hydroxyacetamide?
The InChIKey is KQZBKRPKNVQONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN2O2/c10-7-2-1-3-8(11)6(7)4-12-13-9(15)5-14/h1-4,14H,5H2,(H,13,15).
What are the key properties of N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-hydroxyacetamide?
N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-hydroxyacetamide has a molecular weight of 230.63 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-hydroxyacetamide is sourced from PubChem (CID 739695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).