4-(4-chlorophenoxy)-3,5-difluorobenzenecarboximidamide

C13H9ClF2N2O — CID 81293743

IUPAC4-(4-chlorophenoxy)-3,5-difluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C13H9ClF2N2O/c14-8-1-3-9(4-2-8)19-12-10(15)5-7(13(17)18)6-11(12)16/h1-6H,(H3,17,18)
InChIKeyKDVZDQPAIUCQGT-UHFFFAOYSA-N
MW282.68 g/mol
LogP3.69
Rot. Bonds3

About 4-(4-chlorophenoxy)-3,5-difluorobenzenecarboximidamide

4-(4-chlorophenoxy)-3,5-difluorobenzenecarboximidamide (PubChem CID 81293743) has the molecular formula C13H9ClF2N2O and a molecular weight of 282.68 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-3,5-difluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-3,5-difluorobenzenecarboximidamide
PubChem CID81293743
Molecular FormulaC13H9ClF2N2O
Molecular Weight282.68 g/mol
Exact Mass282.04
IUPAC Name4-(4-chlorophenoxy)-3,5-difluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C13H9ClF2N2O/c14-8-1-3-9(4-2-8)19-12-10(15)5-7(13(17)18)6-11(12)16/h1-6H,(H3,17,18)
InChIKeyKDVZDQPAIUCQGT-UHFFFAOYSA-N
XLogP3.69
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.68
LogP ≤ 53.69
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-chloro-3-fluorophenoxy)-3,5-difluorobenzenecarboximidamide
CID 82717295
3,5-difluoro-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107709002
4-(2,5-dichlorophenoxy)-3,5-difluorobenzenecarboximidamide
CID 81293557
3,5-difluoro-4-pyridin-3-yloxybenzenecarboximidamide
CID 81293654
4-[(5-bromo-3-pyridinyl)oxy]-3,5-difluorobenzenecarboximidamide
CID 81293284
4-[(4-chlorophenyl)methylsulfanyl]-3,5-difluorobenzenecarboximidamide
CID 114790509
4-(4-bromo-2-methylphenoxy)-3,5-difluorobenzenecarboximidamide
CID 81293478
4-(2-ethylphenoxy)-3,5-difluorobenzenecarboximidamide
CID 81293862
3-fluoro-4-(4-methoxyphenoxy)benzenecarboximidamide;hydrochloride
CID 82240746
4-[2-(3-chloro-4-fluorophenoxy)ethoxy]benzenecarboximidamide
CID 63880209
3,5-difluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide
CID 81342133
3,5-difluoro-4-propoxybenzenecarboximidamide
CID 81293988

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-3,5-difluorobenzenecarboximidamide?
The IUPAC name of 4-(4-chlorophenoxy)-3,5-difluorobenzenecarboximidamide (CID 81293743) is 4-(4-chlorophenoxy)-3,5-difluorobenzenecarboximidamide.
What is the SMILES notation for 4-(4-chlorophenoxy)-3,5-difluorobenzenecarboximidamide?
The canonical SMILES for 4-(4-chlorophenoxy)-3,5-difluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1.
What is the InChIKey of 4-(4-chlorophenoxy)-3,5-difluorobenzenecarboximidamide?
The InChIKey is KDVZDQPAIUCQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2N2O/c14-8-1-3-9(4-2-8)19-12-10(15)5-7(13(17)18)6-11(12)16/h1-6H,(H3,17,18).
What are the key properties of 4-(4-chlorophenoxy)-3,5-difluorobenzenecarboximidamide?
4-(4-chlorophenoxy)-3,5-difluorobenzenecarboximidamide has a molecular weight of 282.68 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-3,5-difluorobenzenecarboximidamide is sourced from PubChem (CID 81293743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).