3-[(4-chloro-3-fluorophenyl)methoxy]-4-methylbenzenecarboximidamide

C15H14ClFN2O — CID 107881722

IUPAC3-[(4-chloro-3-fluorophenyl)methoxy]-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)c(OCc2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C15H14ClFN2O/c1-9-2-4-11(15(18)19)7-14(9)20-8-10-3-5-12(16)13(17)6-10/h2-7H,8H2,1H3,(H3,18,19)
InChIKeyZWLLWGWURYJWDN-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.65
Rot. Bonds4

About 3-[(4-chloro-3-fluorophenyl)methoxy]-4-methylbenzenecarboximidamide

3-[(4-chloro-3-fluorophenyl)methoxy]-4-methylbenzenecarboximidamide (PubChem CID 107881722) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 3-[(4-chloro-3-fluorophenyl)methoxy]-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name3-[(4-chloro-3-fluorophenyl)methoxy]-4-methylbenzenecarboximidamide
PubChem CID107881722
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name3-[(4-chloro-3-fluorophenyl)methoxy]-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)c(OCc2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C15H14ClFN2O/c1-9-2-4-11(15(18)19)7-14(9)20-8-10-3-5-12(16)13(17)6-10/h2-7H,8H2,1H3,(H3,18,19)
InChIKeyZWLLWGWURYJWDN-UHFFFAOYSA-N
XLogP3.65
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.65
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-[(3,4-dimethylphenyl)methoxy]-3-fluorobenzenecarboximidamide
CID 107666681
3-[(3,5-dimethylphenyl)methoxy]-4-methylbenzenecarboximidamide
CID 107657148
1-chloro-2-fluoro-4-[(5-fluoro-2-methylphenoxy)methyl]benzene
CID 107888398
4-[(3,4-difluorophenyl)methoxy]-3-fluorobenzenecarboximidamide
CID 107666642
3-[(5-chloro-2-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide
CID 107657180
4-[(3-chloro-4-fluorophenyl)methoxy]benzenecarboximidamide
CID 103038182
4-[(4-chlorophenyl)methoxy]-3-methoxybenzenecarboximidamide;hydrochloride
CID 82240843
3-(2,2-difluoroethoxy)-4-methylbenzenecarboximidamide
CID 107657141
3-[(2-methylphenoxy)methyl]benzenecarboximidamide
CID 24701017
3-[(1-ethylpyrazol-4-yl)methoxy]-4-methylbenzenecarboximidamide
CID 107657153
3-chloro-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 61388847
4-[(3-chloro-2-fluorophenoxy)methyl]benzenecarboximidamide
CID 116689241

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-3-fluorophenyl)methoxy]-4-methylbenzenecarboximidamide?
The IUPAC name of 3-[(4-chloro-3-fluorophenyl)methoxy]-4-methylbenzenecarboximidamide (CID 107881722) is 3-[(4-chloro-3-fluorophenyl)methoxy]-4-methylbenzenecarboximidamide.
What is the SMILES notation for 3-[(4-chloro-3-fluorophenyl)methoxy]-4-methylbenzenecarboximidamide?
The canonical SMILES for 3-[(4-chloro-3-fluorophenyl)methoxy]-4-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(C)c(OCc2ccc(Cl)c(F)c2)c1.
What is the InChIKey of 3-[(4-chloro-3-fluorophenyl)methoxy]-4-methylbenzenecarboximidamide?
The InChIKey is ZWLLWGWURYJWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c1-9-2-4-11(15(18)19)7-14(9)20-8-10-3-5-12(16)13(17)6-10/h2-7H,8H2,1H3,(H3,18,19).
What are the key properties of 3-[(4-chloro-3-fluorophenyl)methoxy]-4-methylbenzenecarboximidamide?
3-[(4-chloro-3-fluorophenyl)methoxy]-4-methylbenzenecarboximidamide has a molecular weight of 292.74 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-3-fluorophenyl)methoxy]-4-methylbenzenecarboximidamide is sourced from PubChem (CID 107881722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).