3-[(2,4-difluorophenoxy)methyl]benzenecarboximidamide

C14H12F2N2O — CID 24704765

IUPAC3-[(2,4-difluorophenoxy)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(COc2ccc(F)cc2F)c1
InChIInChI=1S/C14H12F2N2O/c15-11-4-5-13(12(16)7-11)19-8-9-2-1-3-10(6-9)14(17)18/h1-7H,8H2,(H3,17,18)
InChIKeyRXEDZGIXTOEBMC-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.83
Rot. Bonds4

About 3-[(2,4-difluorophenoxy)methyl]benzenecarboximidamide

3-[(2,4-difluorophenoxy)methyl]benzenecarboximidamide (PubChem CID 24704765) has the molecular formula C14H12F2N2O and a molecular weight of 262.26 g/mol. Its IUPAC name is 3-[(2,4-difluorophenoxy)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-[(2,4-difluorophenoxy)methyl]benzenecarboximidamide
PubChem CID24704765
Molecular FormulaC14H12F2N2O
Molecular Weight262.26 g/mol
Exact Mass262.09
IUPAC Name3-[(2,4-difluorophenoxy)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(COc2ccc(F)cc2F)c1
InChIInChI=1S/C14H12F2N2O/c15-11-4-5-13(12(16)7-11)19-8-9-2-1-3-10(6-9)14(17)18/h1-7H,8H2,(H3,17,18)
InChIKeyRXEDZGIXTOEBMC-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-[(3-hydroxyphenyl)methoxy]benzenecarboximidamide
CID 107666580
3-[(2-fluoro-5-methylphenoxy)methyl]benzenecarboximidamide
CID 64853652
3-[(2-methylphenoxy)methyl]benzenecarboximidamide
CID 24701017
4-[(3,4-difluorophenyl)methoxy]-3-fluorobenzenecarboximidamide
CID 107666642
3-fluoro-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 82253424
3-[[2-(2-hydroxyethyl)phenoxy]methyl]benzenecarboximidamide
CID 107712654
4-[(3,4-dimethylphenyl)methoxy]-3-fluorobenzenecarboximidamide
CID 107666681
3-[[5-[(3-ethanimidoylphenyl)methoxy]naphthalen-1-yl]oxymethyl]benzenecarboximidamide
CID 143028132
3-[(3-bromo-5-fluorophenoxy)methyl]benzenecarboximidamide
CID 81331398
3-[(2-methoxy-4-methylphenoxy)methyl]benzenecarboximidamide
CID 24709656
3-[(4-bromo-2-methylphenoxy)methyl]benzenecarboximidamide
CID 63216529
3-(quinolin-8-yloxymethyl)benzenecarboximidamide;hydrochloride
CID 82253720

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-difluorophenoxy)methyl]benzenecarboximidamide?
The IUPAC name of 3-[(2,4-difluorophenoxy)methyl]benzenecarboximidamide (CID 24704765) is 3-[(2,4-difluorophenoxy)methyl]benzenecarboximidamide.
What is the SMILES notation for 3-[(2,4-difluorophenoxy)methyl]benzenecarboximidamide?
The canonical SMILES for 3-[(2,4-difluorophenoxy)methyl]benzenecarboximidamide is [H]/N=C(\N)c1cccc(COc2ccc(F)cc2F)c1.
What is the InChIKey of 3-[(2,4-difluorophenoxy)methyl]benzenecarboximidamide?
The InChIKey is RXEDZGIXTOEBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O/c15-11-4-5-13(12(16)7-11)19-8-9-2-1-3-10(6-9)14(17)18/h1-7H,8H2,(H3,17,18).
What are the key properties of 3-[(2,4-difluorophenoxy)methyl]benzenecarboximidamide?
3-[(2,4-difluorophenoxy)methyl]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 3-[(2,4-difluorophenoxy)methyl]benzenecarboximidamide is sourced from PubChem (CID 24704765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).