4-[(3-chloro-2-fluorophenoxy)methyl]benzenecarboximidamide

C14H12ClFN2O — CID 116689241

IUPAC4-[(3-chloro-2-fluorophenoxy)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COc2cccc(Cl)c2F)cc1
InChIInChI=1S/C14H12ClFN2O/c15-11-2-1-3-12(13(11)16)19-8-9-4-6-10(7-5-9)14(17)18/h1-7H,8H2,(H3,17,18)
InChIKeyPOLFTXUMZCJNJG-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.34
Rot. Bonds4

About 4-[(3-chloro-2-fluorophenoxy)methyl]benzenecarboximidamide

4-[(3-chloro-2-fluorophenoxy)methyl]benzenecarboximidamide (PubChem CID 116689241) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is 4-[(3-chloro-2-fluorophenoxy)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[(3-chloro-2-fluorophenoxy)methyl]benzenecarboximidamide
PubChem CID116689241
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC Name4-[(3-chloro-2-fluorophenoxy)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COc2cccc(Cl)c2F)cc1
InChIInChI=1S/C14H12ClFN2O/c15-11-2-1-3-12(13(11)16)19-8-9-4-6-10(7-5-9)14(17)18/h1-7H,8H2,(H3,17,18)
InChIKeyPOLFTXUMZCJNJG-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'}

Analyze 4-[(3-chloro-2-fluorophenoxy)methyl]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-chloro-2-fluorophenoxy)benzenecarboximidamide
CID 116689225
4-[(3-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide
CID 102856104
[4-[(3-chloro-2-fluorophenoxy)methyl]phenyl]boronic acid
CID 116689837
4-[(2-propoxyphenoxy)methyl]benzenecarboximidamide
CID 24700707
4-(quinolin-8-yloxymethyl)benzenecarboximidamide
CID 28825198
5-(3-chloro-2-fluorophenoxy)pentanimidamide
CID 116689239
4-[(4-fluorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride
CID 82240742
2-chloro-6-[(3,4-dichlorophenyl)methoxy]benzenecarboximidamide
CID 114323483
4-[(3-chloro-4-fluorophenyl)methoxy]benzenecarboximidamide
CID 103038182
2-[(3,4-dichlorophenyl)methoxy]-6-fluorobenzenecarboximidamide
CID 43609384
4-[(2-chloro-6-fluorophenyl)methoxy]-3-fluorobenzenecarboximidamide
CID 82253825
4-[[4-[(4-carbamimidoylphenoxy)methyl]phenyl]methoxy]benzenecarboximidamide;methane
CID 161112303

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-2-fluorophenoxy)methyl]benzenecarboximidamide?
The IUPAC name of 4-[(3-chloro-2-fluorophenoxy)methyl]benzenecarboximidamide (CID 116689241) is 4-[(3-chloro-2-fluorophenoxy)methyl]benzenecarboximidamide.
What is the SMILES notation for 4-[(3-chloro-2-fluorophenoxy)methyl]benzenecarboximidamide?
The canonical SMILES for 4-[(3-chloro-2-fluorophenoxy)methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(COc2cccc(Cl)c2F)cc1.
What is the InChIKey of 4-[(3-chloro-2-fluorophenoxy)methyl]benzenecarboximidamide?
The InChIKey is POLFTXUMZCJNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c15-11-2-1-3-12(13(11)16)19-8-9-4-6-10(7-5-9)14(17)18/h1-7H,8H2,(H3,17,18).
What are the key properties of 4-[(3-chloro-2-fluorophenoxy)methyl]benzenecarboximidamide?
4-[(3-chloro-2-fluorophenoxy)methyl]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-fluorophenoxy)methyl]benzenecarboximidamide is sourced from PubChem (CID 116689241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).