2-chloro-N'-[3-fluoro-2-(1,2,4-oxadiazol-3-yl)phenyl]ethanimidamide

C10H8ClFN4O — CID 169366627

IUPAC2-chloro-N'-[3-fluoro-2-(1,2,4-oxadiazol-3-yl)phenyl]ethanimidamide
SMILESN/C(CCl)=N/c1cccc(F)c1-c1ncon1
InChIInChI=1S/C10H8ClFN4O/c11-4-8(13)15-7-3-1-2-6(12)9(7)10-14-5-17-16-10/h1-3,5H,4H2,(H2,13,15)
InChIKeySJINVYVWRLBXBD-UHFFFAOYSA-N
MW254.65 g/mol
LogP2.10
Rot. Bonds3

About 2-chloro-N'-[3-fluoro-2-(1,2,4-oxadiazol-3-yl)phenyl]ethanimidamide

2-chloro-N'-[3-fluoro-2-(1,2,4-oxadiazol-3-yl)phenyl]ethanimidamide (PubChem CID 169366627) has the molecular formula C10H8ClFN4O and a molecular weight of 254.65 g/mol. Its IUPAC name is 2-chloro-N'-[3-fluoro-2-(1,2,4-oxadiazol-3-yl)phenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[3-fluoro-2-(1,2,4-oxadiazol-3-yl)phenyl]ethanimidamide
PubChem CID169366627
Molecular FormulaC10H8ClFN4O
Molecular Weight254.65 g/mol
Exact Mass254.04
IUPAC Name2-chloro-N'-[3-fluoro-2-(1,2,4-oxadiazol-3-yl)phenyl]ethanimidamide
SMILESN/C(CCl)=N/c1cccc(F)c1-c1ncon1
InChIInChI=1S/C10H8ClFN4O/c11-4-8(13)15-7-3-1-2-6(12)9(7)10-14-5-17-16-10/h1-3,5H,4H2,(H2,13,15)
InChIKeySJINVYVWRLBXBD-UHFFFAOYSA-N
XLogP2.10
TPSA77.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.65
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[3-fluoro-2-(1,2,4-oxadiazol-3-yl)anilino]propane-1,2-diol
CID 168597024
2-chloro-N'-(3-chloro-2-methylphenyl)ethanimidamide
CID 169369825
3-(2,6-dichlorophenyl)-1,2,4-oxadiazole
CID 66703225
2-chloro-N'-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]ethanimidamide
CID 169366107
2-chloro-N'-(3-fluoro-2,4-dimethylphenyl)ethanimidamide
CID 169368780
2-chloro-N'-(5-chloro-2,3-difluorophenyl)ethanimidamide
CID 169369622
2-chloro-N'-[2-(trifluoromethoxy)phenyl]ethanimidamide
CID 169369851
2-chloro-N'-[2-(1,3-oxazol-2-yl)phenyl]ethanimidamide
CID 169368969
2-chloro-N'-(5-chloro-2,4-difluorophenyl)ethanimidamide
CID 169365117
2-chloro-N'-(3-fluorophenyl)ethanimidamide
CID 169368865
2-chloro-N'-(2-methylbenzotriazol-4-yl)ethanimidamide
CID 169365927
2-chloro-N'-[2-fluoro-4-(trifluoromethyl)phenyl]ethanimidamide
CID 169365215

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[3-fluoro-2-(1,2,4-oxadiazol-3-yl)phenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[3-fluoro-2-(1,2,4-oxadiazol-3-yl)phenyl]ethanimidamide (CID 169366627) is 2-chloro-N'-[3-fluoro-2-(1,2,4-oxadiazol-3-yl)phenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[3-fluoro-2-(1,2,4-oxadiazol-3-yl)phenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[3-fluoro-2-(1,2,4-oxadiazol-3-yl)phenyl]ethanimidamide is N/C(CCl)=N/c1cccc(F)c1-c1ncon1.
What is the InChIKey of 2-chloro-N'-[3-fluoro-2-(1,2,4-oxadiazol-3-yl)phenyl]ethanimidamide?
The InChIKey is SJINVYVWRLBXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN4O/c11-4-8(13)15-7-3-1-2-6(12)9(7)10-14-5-17-16-10/h1-3,5H,4H2,(H2,13,15).
What are the key properties of 2-chloro-N'-[3-fluoro-2-(1,2,4-oxadiazol-3-yl)phenyl]ethanimidamide?
2-chloro-N'-[3-fluoro-2-(1,2,4-oxadiazol-3-yl)phenyl]ethanimidamide has a molecular weight of 254.65 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[3-fluoro-2-(1,2,4-oxadiazol-3-yl)phenyl]ethanimidamide is sourced from PubChem (CID 169366627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).