2-chloro-N'-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]ethanimidamide

C14H13ClFN3O — CID 169368725

IUPAC2-chloro-N'-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]ethanimidamide
SMILESN/C(CCl)=N/c1ccc(OCc2ccccn2)c(F)c1
InChIInChI=1S/C14H13ClFN3O/c15-8-14(17)19-10-4-5-13(12(16)7-10)20-9-11-3-1-2-6-18-11/h1-7H,8-9H2,(H2,17,19)
InChIKeyJOQUFKSZWYOGHM-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.03
Rot. Bonds5

About 2-chloro-N'-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]ethanimidamide

2-chloro-N'-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]ethanimidamide (PubChem CID 169368725) has the molecular formula C14H13ClFN3O and a molecular weight of 293.73 g/mol. Its IUPAC name is 2-chloro-N'-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]ethanimidamide
PubChem CID169368725
Molecular FormulaC14H13ClFN3O
Molecular Weight293.73 g/mol
Exact Mass293.07
IUPAC Name2-chloro-N'-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]ethanimidamide
SMILESN/C(CCl)=N/c1ccc(OCc2ccccn2)c(F)c1
InChIInChI=1S/C14H13ClFN3O/c15-8-14(17)19-10-4-5-13(12(16)7-10)20-9-11-3-1-2-6-18-11/h1-7H,8-9H2,(H2,17,19)
InChIKeyJOQUFKSZWYOGHM-UHFFFAOYSA-N
XLogP3.03
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-fluoro-4-(pyridin-2-ylmethoxy)benzamide;hydrochloride
CID 142684298
3-fluoro-4-(pyridin-2-ylmethoxy)aniline;dihydrochloride
CID 75530160
2-[(2-fluoro-4-propylphenoxy)methyl]pyridine;methanediol
CID 143451373
1-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]propan-2-amine
CID 107693096
methyl 3-fluoro-4-(pyridin-2-ylmethoxy)benzoate
CID 69001811
2-chloro-N'-[3-fluoro-4-(oxolan-2-ylmethoxy)phenyl]ethanimidamide
CID 169367930
2-chloro-N'-(3,5-difluoro-4-hydroxyphenyl)ethanimidamide
CID 169367099
2-chloro-N'-(3-chloro-4-fluorophenyl)ethanimidamide
CID 169369617
3-chloro-N'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide
CID 61388852
4-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]butanamide;dihydrochloride
CID 119898314
2-chloro-N'-(4-fluoro-3-methylphenyl)ethanimidamide
CID 169364929
2-[3-fluoro-4-(pyridin-2-ylmethoxy)anilino]ethene-1,1,2-tricarbonitrile
CID 168609787

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]ethanimidamide (CID 169368725) is 2-chloro-N'-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]ethanimidamide is N/C(CCl)=N/c1ccc(OCc2ccccn2)c(F)c1.
What is the InChIKey of 2-chloro-N'-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]ethanimidamide?
The InChIKey is JOQUFKSZWYOGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O/c15-8-14(17)19-10-4-5-13(12(16)7-10)20-9-11-3-1-2-6-18-11/h1-7H,8-9H2,(H2,17,19).
What are the key properties of 2-chloro-N'-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]ethanimidamide?
2-chloro-N'-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]ethanimidamide has a molecular weight of 293.73 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]ethanimidamide is sourced from PubChem (CID 169368725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).