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

C15H14ClFN2O — CID 102668187

IUPAC3-chloro-4-[(2-fluorophenyl)methoxymethyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COCc2ccccc2F)c(Cl)c1
InChIInChI=1S/C15H14ClFN2O/c16-13-7-10(15(18)19)5-6-11(13)8-20-9-12-3-1-2-4-14(12)17/h1-7H,8-9H2,(H3,18,19)
InChIKeyUMYGTWIZCOXHCQ-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.48
Rot. Bonds5

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

3-chloro-4-[(2-fluorophenyl)methoxymethyl]benzenecarboximidamide (PubChem CID 102668187) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 3-chloro-4-[(2-fluorophenyl)methoxymethyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-4-[(2-fluorophenyl)methoxymethyl]benzenecarboximidamide
PubChem CID102668187
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name3-chloro-4-[(2-fluorophenyl)methoxymethyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COCc2ccccc2F)c(Cl)c1
InChIInChI=1S/C15H14ClFN2O/c16-13-7-10(15(18)19)5-6-11(13)8-20-9-12-3-1-2-4-14(12)17/h1-7H,8-9H2,(H3,18,19)
InChIKeyUMYGTWIZCOXHCQ-UHFFFAOYSA-N
XLogP3.48
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.48
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-chloro-4-(furan-2-ylmethoxymethyl)benzenecarboximidamide
CID 102668088
3-chloro-4-(2-methylpropoxymethyl)benzenecarboximidamide
CID 102668091
4-(2-butoxyethoxymethyl)-3-chlorobenzenecarboximidamide
CID 102668129
4-[(2-fluorophenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 42656905
3-chloro-4-(hydroxymethyl)benzenecarboximidamide
CID 102668142
3-chloro-4-(2-cyclobutylethoxymethyl)benzenecarboximidamide
CID 106202147
3-fluoro-4-(phenoxymethyl)benzenecarboximidamide;dihydrochloride
CID 175793778
4-[(3,4-dichlorophenoxy)methyl]-3-fluorobenzenecarboximidamide
CID 61000059
4-[[(2-chlorophenyl)methyl-methylamino]methyl]-3-fluorobenzenecarboximidamide
CID 61417008
4-(cyclopentylmethoxymethyl)-3-fluorobenzenecarboximidamide
CID 66321784
3-fluoro-4-(2-pyridin-2-ylethoxymethyl)benzenecarboximidamide
CID 29006279
3-chloro-4-[(2,3-dimethylphenoxy)methyl]benzenecarboximidamide
CID 102668113

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(2-fluorophenyl)methoxymethyl]benzenecarboximidamide?
The IUPAC name of 3-chloro-4-[(2-fluorophenyl)methoxymethyl]benzenecarboximidamide (CID 102668187) is 3-chloro-4-[(2-fluorophenyl)methoxymethyl]benzenecarboximidamide.
What is the SMILES notation for 3-chloro-4-[(2-fluorophenyl)methoxymethyl]benzenecarboximidamide?
The canonical SMILES for 3-chloro-4-[(2-fluorophenyl)methoxymethyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(COCc2ccccc2F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[(2-fluorophenyl)methoxymethyl]benzenecarboximidamide?
The InChIKey is UMYGTWIZCOXHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c16-13-7-10(15(18)19)5-6-11(13)8-20-9-12-3-1-2-4-14(12)17/h1-7H,8-9H2,(H3,18,19).
What are the key properties of 3-chloro-4-[(2-fluorophenyl)methoxymethyl]benzenecarboximidamide?
3-chloro-4-[(2-fluorophenyl)methoxymethyl]benzenecarboximidamide has a molecular weight of 292.74 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(2-fluorophenyl)methoxymethyl]benzenecarboximidamide is sourced from PubChem (CID 102668187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).