3-chloro-4-(3,5-difluorophenoxy)benzenecarboximidamide

C13H9ClF2N2O — CID 63086917

IUPAC3-chloro-4-(3,5-difluorophenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cc(F)cc(F)c2)c(Cl)c1
InChIInChI=1S/C13H9ClF2N2O/c14-11-3-7(13(17)18)1-2-12(11)19-10-5-8(15)4-9(16)6-10/h1-6H,(H3,17,18)
InChIKeyYAHXQSQIOQKMBN-UHFFFAOYSA-N
MW282.68 g/mol
LogP3.69
Rot. Bonds3

About 3-chloro-4-(3,5-difluorophenoxy)benzenecarboximidamide

3-chloro-4-(3,5-difluorophenoxy)benzenecarboximidamide (PubChem CID 63086917) has the molecular formula C13H9ClF2N2O and a molecular weight of 282.68 g/mol. Its IUPAC name is 3-chloro-4-(3,5-difluorophenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-4-(3,5-difluorophenoxy)benzenecarboximidamide
PubChem CID63086917
Molecular FormulaC13H9ClF2N2O
Molecular Weight282.68 g/mol
Exact Mass282.04
IUPAC Name3-chloro-4-(3,5-difluorophenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cc(F)cc(F)c2)c(Cl)c1
InChIInChI=1S/C13H9ClF2N2O/c14-11-3-7(13(17)18)1-2-12(11)19-10-5-8(15)4-9(16)6-10/h1-6H,(H3,17,18)
InChIKeyYAHXQSQIOQKMBN-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

3-chloro-4-(4-propan-2-ylphenoxy)benzenecarboximidamide
CID 63087240
4-(5-bromo-2-fluorophenoxy)-3-chlorobenzenecarboximidamide
CID 114673673
4-(5-bromo-2,3-difluorophenoxy)-3-chlorobenzenecarboximidamide
CID 107099791
2-(3,5-difluorophenoxy)-5-fluorobenzenecarboximidamide
CID 55233910
6-(2-chloro-4-fluorophenoxy)pyridine-3-carboximidamide
CID 54880716
3-chloro-4-(2,3,5-trimethylphenoxy)benzenecarboximidamide
CID 63087416
4-(5-bromo-2-methylphenoxy)-3-chlorobenzenecarboximidamide
CID 107284677
3-bromo-4-(2,4,5-trichlorophenoxy)benzenecarboximidamide
CID 82799225
3-bromo-4-(3,4-dichlorophenoxy)benzenecarboximidamide
CID 82799447
3-chloro-4-(4-fluorophenoxy)benzenecarbothioamide
CID 63087309
4-(3-chloro-2-fluorophenoxy)benzenecarboximidamide
CID 116689225
3-chloro-4-(2-chloro-6-nitrophenoxy)benzenecarboximidamide
CID 107716974

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3,5-difluorophenoxy)benzenecarboximidamide?
The IUPAC name of 3-chloro-4-(3,5-difluorophenoxy)benzenecarboximidamide (CID 63086917) is 3-chloro-4-(3,5-difluorophenoxy)benzenecarboximidamide.
What is the SMILES notation for 3-chloro-4-(3,5-difluorophenoxy)benzenecarboximidamide?
The canonical SMILES for 3-chloro-4-(3,5-difluorophenoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2cc(F)cc(F)c2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(3,5-difluorophenoxy)benzenecarboximidamide?
The InChIKey is YAHXQSQIOQKMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2N2O/c14-11-3-7(13(17)18)1-2-12(11)19-10-5-8(15)4-9(16)6-10/h1-6H,(H3,17,18).
What are the key properties of 3-chloro-4-(3,5-difluorophenoxy)benzenecarboximidamide?
3-chloro-4-(3,5-difluorophenoxy)benzenecarboximidamide 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 3-chloro-4-(3,5-difluorophenoxy)benzenecarboximidamide is sourced from PubChem (CID 63086917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).