4-[(2,4-difluorophenyl)methoxy]benzenecarboximidamide

C14H12F2N2O — CID 55045519

IUPAC4-[(2,4-difluorophenyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCc2ccc(F)cc2F)cc1
InChIInChI=1S/C14H12F2N2O/c15-11-4-1-10(13(16)7-11)8-19-12-5-2-9(3-6-12)14(17)18/h1-7H,8H2,(H3,17,18)
InChIKeyGKVGUDLAAYSWLO-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.83
Rot. Bonds4

About 4-[(2,4-difluorophenyl)methoxy]benzenecarboximidamide

4-[(2,4-difluorophenyl)methoxy]benzenecarboximidamide (PubChem CID 55045519) has the molecular formula C14H12F2N2O and a molecular weight of 262.26 g/mol. Its IUPAC name is 4-[(2,4-difluorophenyl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-[(2,4-difluorophenyl)methoxy]benzenecarboximidamide
PubChem CID55045519
Molecular FormulaC14H12F2N2O
Molecular Weight262.26 g/mol
Exact Mass262.09
IUPAC Name4-[(2,4-difluorophenyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCc2ccc(F)cc2F)cc1
InChIInChI=1S/C14H12F2N2O/c15-11-4-1-10(13(16)7-11)8-19-12-5-2-9(3-6-12)14(17)18/h1-7H,8H2,(H3,17,18)
InChIKeyGKVGUDLAAYSWLO-UHFFFAOYSA-N
XLogP2.83
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.83
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-fluoro-4-(phenoxymethyl)benzenecarboximidamide;dihydrochloride
CID 175793778
4-[(2-fluorophenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 42656905
4-[(3,4-dichlorophenoxy)methyl]-3-fluorobenzenecarboximidamide
CID 61000059
2,4-difluoro-1-[(4-fluorophenoxy)methyl]benzene
CID 64765828
4-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide
CID 43658904
2-[(2,4-difluorophenyl)methoxy]benzenecarboximidamide
CID 62196027
2-[(4-bromophenoxy)methyl]-5-fluorobenzenecarboximidamide
CID 63290597
1-[4-[(2,4-difluorophenyl)methoxy]phenyl]ethylidenehydrazine
CID 130338430
5-fluoro-2-[[4-(hydroxymethyl)phenoxy]methyl]benzenecarboximidamide
CID 63291162
3-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 107666555
4-[(3-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide
CID 102856104
3-[(4-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide
CID 114849637

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenyl)methoxy]benzenecarboximidamide?
The IUPAC name of 4-[(2,4-difluorophenyl)methoxy]benzenecarboximidamide (CID 55045519) is 4-[(2,4-difluorophenyl)methoxy]benzenecarboximidamide.
What is the SMILES notation for 4-[(2,4-difluorophenyl)methoxy]benzenecarboximidamide?
The canonical SMILES for 4-[(2,4-difluorophenyl)methoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCc2ccc(F)cc2F)cc1.
What is the InChIKey of 4-[(2,4-difluorophenyl)methoxy]benzenecarboximidamide?
The InChIKey is GKVGUDLAAYSWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O/c15-11-4-1-10(13(16)7-11)8-19-12-5-2-9(3-6-12)14(17)18/h1-7H,8H2,(H3,17,18).
What are the key properties of 4-[(2,4-difluorophenyl)methoxy]benzenecarboximidamide?
4-[(2,4-difluorophenyl)methoxy]benzenecarboximidamide has a molecular weight of 262.26 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenyl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 55045519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).