4-(2,4-dichlorophenoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide

C13H8Cl2F2N2O2 — CID 81286790

IUPAC4-(2,4-dichlorophenoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1cc(F)c(Oc2ccc(Cl)cc2Cl)c(F)c1
InChIInChI=1S/C13H8Cl2F2N2O2/c14-7-1-2-11(8(15)5-7)21-12-9(16)3-6(4-10(12)17)13(18)19-20/h1-5,20H,(H2,18,19)
InChIKeyFJFZFGACSIWBSN-UHFFFAOYSA-N
MW333.12 g/mol
LogP4.16
Rot. Bonds3

About 4-(2,4-dichlorophenoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide

4-(2,4-dichlorophenoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 81286790) has the molecular formula C13H8Cl2F2N2O2 and a molecular weight of 333.12 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide
PubChem CID81286790
Molecular FormulaC13H8Cl2F2N2O2
Molecular Weight333.12 g/mol
Exact Mass331.99
IUPAC Name4-(2,4-dichlorophenoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1cc(F)c(Oc2ccc(Cl)cc2Cl)c(F)c1
InChIInChI=1S/C13H8Cl2F2N2O2/c14-7-1-2-11(8(15)5-7)21-12-9(16)3-6(4-10(12)17)13(18)19-20/h1-5,20H,(H2,18,19)
InChIKeyFJFZFGACSIWBSN-UHFFFAOYSA-N
XLogP4.16
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.12
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(5-bromo-2-fluorophenoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide
CID 114673566
[4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]methanol
CID 63077759
4-(2-bromo-4-chlorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658275
2-[4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]ethanamine
CID 63803798
4-(2-chloro-4-methylphenoxy)-3,5-difluorobenzenecarbothioamide
CID 81285477
3,5-difluoro-4-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 107169391
4-(2-bromo-4-chlorophenoxy)-3,5-difluorobenzenecarbothioamide
CID 81285921
4-[(5-chloro-2-fluorophenyl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107666251
3-chloro-4-(3,4-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 76984195
4-(2,5-dichlorophenoxy)-3,5-difluorobenzenecarboximidamide
CID 81293557
5-chloro-2-(2-chloro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 76953392
3,5-difluoro-4-(2,4,5-trichlorophenoxy)benzenecarbothioamide
CID 81285767

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide (CID 81286790) is 4-(2,4-dichlorophenoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1cc(F)c(Oc2ccc(Cl)cc2Cl)c(F)c1.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is FJFZFGACSIWBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F2N2O2/c14-7-1-2-11(8(15)5-7)21-12-9(16)3-6(4-10(12)17)13(18)19-20/h1-5,20H,(H2,18,19).
What are the key properties of 4-(2,4-dichlorophenoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide?
4-(2,4-dichlorophenoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 333.12 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 81286790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).