4-(3-chloro-2-fluorophenoxy)benzenecarboximidamide

C13H10ClFN2O — CID 116689225

IUPAC4-(3-chloro-2-fluorophenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cccc(Cl)c2F)cc1
InChIInChI=1S/C13H10ClFN2O/c14-10-2-1-3-11(12(10)15)18-9-6-4-8(5-7-9)13(16)17/h1-7H,(H3,16,17)
InChIKeyVSDCTZOTVIQVDA-UHFFFAOYSA-N
MW264.69 g/mol
LogP3.56
Rot. Bonds3

About 4-(3-chloro-2-fluorophenoxy)benzenecarboximidamide

4-(3-chloro-2-fluorophenoxy)benzenecarboximidamide (PubChem CID 116689225) has the molecular formula C13H10ClFN2O and a molecular weight of 264.69 g/mol. Its IUPAC name is 4-(3-chloro-2-fluorophenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name4-(3-chloro-2-fluorophenoxy)benzenecarboximidamide
PubChem CID116689225
Molecular FormulaC13H10ClFN2O
Molecular Weight264.69 g/mol
Exact Mass264.05
IUPAC Name4-(3-chloro-2-fluorophenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cccc(Cl)c2F)cc1
InChIInChI=1S/C13H10ClFN2O/c14-10-2-1-3-11(12(10)15)18-9-6-4-8(5-7-9)13(16)17/h1-7H,(H3,16,17)
InChIKeyVSDCTZOTVIQVDA-UHFFFAOYSA-N
XLogP3.56
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.69
LogP ≤ 53.56
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-[(3-chloro-2-fluorophenoxy)methyl]benzenecarboximidamide
CID 116689241
4-[(3-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide
CID 102856104
2-chloro-6-phenoxybenzenecarboximidamide
CID 53416807
1-chloro-3-[4-(chloromethyl)phenoxy]-2-fluorobenzene
CID 116689418
1-chloro-3-(3-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 141078897
3-chloro-4-(3,5-difluorophenoxy)benzenecarboximidamide
CID 63086917
4-(4-bromo-2-fluorophenoxy)benzenecarboximidamide
CID 43123450
4-(4,5-dichloro-2-nitrophenoxy)benzenecarboximidamide
CID 107500011
2-chloro-6-(4-methylsulfonylphenoxy)benzenecarboximidamide
CID 62495683
2-chloro-6-(3,5-dichlorophenoxy)benzenecarboximidamide
CID 63524494
3-fluoro-4-(2-fluoro-3-methylphenoxy)benzenecarboximidamide
CID 107658516
3-chloro-4-(4-propan-2-ylphenoxy)benzenecarboximidamide
CID 63087240

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-fluorophenoxy)benzenecarboximidamide?
The IUPAC name of 4-(3-chloro-2-fluorophenoxy)benzenecarboximidamide (CID 116689225) is 4-(3-chloro-2-fluorophenoxy)benzenecarboximidamide.
What is the SMILES notation for 4-(3-chloro-2-fluorophenoxy)benzenecarboximidamide?
The canonical SMILES for 4-(3-chloro-2-fluorophenoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2cccc(Cl)c2F)cc1.
What is the InChIKey of 4-(3-chloro-2-fluorophenoxy)benzenecarboximidamide?
The InChIKey is VSDCTZOTVIQVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O/c14-10-2-1-3-11(12(10)15)18-9-6-4-8(5-7-9)13(16)17/h1-7H,(H3,16,17).
What are the key properties of 4-(3-chloro-2-fluorophenoxy)benzenecarboximidamide?
4-(3-chloro-2-fluorophenoxy)benzenecarboximidamide has a molecular weight of 264.69 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-fluorophenoxy)benzenecarboximidamide is sourced from PubChem (CID 116689225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).