4-(2,5-dichlorophenoxy)-3,5-difluorobenzenecarboximidamide

C13H8Cl2F2N2O — CID 81293557

IUPAC4-(2,5-dichlorophenoxy)-3,5-difluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(Oc2cc(Cl)ccc2Cl)c(F)c1
InChIInChI=1S/C13H8Cl2F2N2O/c14-7-1-2-8(15)11(5-7)20-12-9(16)3-6(13(18)19)4-10(12)17/h1-5H,(H3,18,19)
InChIKeyYIXCWUOUIFPIPV-UHFFFAOYSA-N
MW317.12 g/mol
LogP4.35
Rot. Bonds3

About 4-(2,5-dichlorophenoxy)-3,5-difluorobenzenecarboximidamide

4-(2,5-dichlorophenoxy)-3,5-difluorobenzenecarboximidamide (PubChem CID 81293557) has the molecular formula C13H8Cl2F2N2O and a molecular weight of 317.12 g/mol. Its IUPAC name is 4-(2,5-dichlorophenoxy)-3,5-difluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-(2,5-dichlorophenoxy)-3,5-difluorobenzenecarboximidamide
PubChem CID81293557
Molecular FormulaC13H8Cl2F2N2O
Molecular Weight317.12 g/mol
Exact Mass316.00
IUPAC Name4-(2,5-dichlorophenoxy)-3,5-difluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(Oc2cc(Cl)ccc2Cl)c(F)c1
InChIInChI=1S/C13H8Cl2F2N2O/c14-7-1-2-8(15)11(5-7)20-12-9(16)3-6(13(18)19)4-10(12)17/h1-5H,(H3,18,19)
InChIKeyYIXCWUOUIFPIPV-UHFFFAOYSA-N
XLogP4.35
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.12
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorophenoxy)-3,5-difluorobenzenecarboximidamide
CID 81293743
4-(4-chloro-3-fluorophenoxy)-3,5-difluorobenzenecarboximidamide
CID 82717295
6-(2,5-dichlorophenoxy)pyridine-3-carboximidamide
CID 24694773
2-chloro-6-(2,5-dichlorophenoxy)benzenecarboximidamide
CID 55079607
4-(4-bromo-2-methylphenoxy)-3,5-difluorobenzenecarboximidamide
CID 81293478
4-(2-ethylphenoxy)-3,5-difluorobenzenecarboximidamide
CID 81293862
3,5-difluoro-4-(2,4,5-trichlorophenoxy)benzenecarbothioamide
CID 81285767
4-(2,4-dichlorophenoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide
CID 81286790
3,5-difluoro-4-pyridin-3-yloxybenzenecarboximidamide
CID 81293654
4-chloro-2-(3-chloro-4-fluorophenoxy)benzenecarboximidamide
CID 55257647
2-(2,5-dichlorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61175597
3,5-difluoro-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107709002

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorophenoxy)-3,5-difluorobenzenecarboximidamide?
The IUPAC name of 4-(2,5-dichlorophenoxy)-3,5-difluorobenzenecarboximidamide (CID 81293557) is 4-(2,5-dichlorophenoxy)-3,5-difluorobenzenecarboximidamide.
What is the SMILES notation for 4-(2,5-dichlorophenoxy)-3,5-difluorobenzenecarboximidamide?
The canonical SMILES for 4-(2,5-dichlorophenoxy)-3,5-difluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)c(Oc2cc(Cl)ccc2Cl)c(F)c1.
What is the InChIKey of 4-(2,5-dichlorophenoxy)-3,5-difluorobenzenecarboximidamide?
The InChIKey is YIXCWUOUIFPIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F2N2O/c14-7-1-2-8(15)11(5-7)20-12-9(16)3-6(13(18)19)4-10(12)17/h1-5H,(H3,18,19).
What are the key properties of 4-(2,5-dichlorophenoxy)-3,5-difluorobenzenecarboximidamide?
4-(2,5-dichlorophenoxy)-3,5-difluorobenzenecarboximidamide has a molecular weight of 317.12 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorophenoxy)-3,5-difluorobenzenecarboximidamide is sourced from PubChem (CID 81293557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).