4-[(3-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide

C14H12ClFN2O — CID 102856104

IUPAC4-[(3-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCc2cccc(Cl)c2F)cc1
InChIInChI=1S/C14H12ClFN2O/c15-12-3-1-2-10(13(12)16)8-19-11-6-4-9(5-7-11)14(17)18/h1-7H,8H2,(H3,17,18)
InChIKeyUNGPLXRMCYVKPH-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.34
Rot. Bonds4

About 4-[(3-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide

4-[(3-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide (PubChem CID 102856104) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is 4-[(3-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-[(3-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide
PubChem CID102856104
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC Name4-[(3-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCc2cccc(Cl)c2F)cc1
InChIInChI=1S/C14H12ClFN2O/c15-12-3-1-2-10(13(12)16)8-19-11-6-4-9(5-7-11)14(17)18/h1-7H,8H2,(H3,17,18)
InChIKeyUNGPLXRMCYVKPH-UHFFFAOYSA-N
XLogP3.34
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 53.34
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-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide
CID 43658904
4-[(2-fluorophenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 42656905
4-(3-chloro-2-fluorophenoxy)benzenecarboximidamide
CID 116689225
4-[(3-chloro-2-fluorophenoxy)methyl]benzenecarboximidamide
CID 116689241
4-[[3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]-2-fluorophenyl]methoxy]benzenecarboximidamide
CID 161251312
4-[(3-chloro-4-fluorophenyl)methoxy]benzenecarboximidamide
CID 103038182
4-[(2,4-difluorophenyl)methoxy]benzenecarboximidamide
CID 55045519
1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one
CID 102855973
2-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzenecarboximidamide
CID 107118184
4-[(3,4-dichlorophenoxy)methyl]-3-fluorobenzenecarboximidamide
CID 61000059
(NZ)-N-[1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propylidene]hydroxylamine
CID 102856118
4-[[4-[(4-carbamimidoylphenoxy)methyl]phenyl]methoxy]benzenecarboximidamide;methane
CID 161112303

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide?
The IUPAC name of 4-[(3-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide (CID 102856104) is 4-[(3-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide.
What is the SMILES notation for 4-[(3-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide?
The canonical SMILES for 4-[(3-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCc2cccc(Cl)c2F)cc1.
What is the InChIKey of 4-[(3-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide?
The InChIKey is UNGPLXRMCYVKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c15-12-3-1-2-10(13(12)16)8-19-11-6-4-9(5-7-11)14(17)18/h1-7H,8H2,(H3,17,18).
What are the key properties of 4-[(3-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide?
4-[(3-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide has a molecular weight of 278.71 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 102856104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).