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

C15H14ClFN2O2 — CID 63880209

IUPAC4-[2-(3-chloro-4-fluorophenoxy)ethoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCOc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C15H14ClFN2O2/c16-13-9-12(5-6-14(13)17)21-8-7-20-11-3-1-10(2-4-11)15(18)19/h1-6,9H,7-8H2,(H3,18,19)
InChIKeyPHIRDZSYCLUDHU-UHFFFAOYSA-N
MW308.74 g/mol
LogP3.22
Rot. Bonds6

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

4-[2-(3-chloro-4-fluorophenoxy)ethoxy]benzenecarboximidamide (PubChem CID 63880209) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is 4-[2-(3-chloro-4-fluorophenoxy)ethoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-[2-(3-chloro-4-fluorophenoxy)ethoxy]benzenecarboximidamide
PubChem CID63880209
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name4-[2-(3-chloro-4-fluorophenoxy)ethoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCOc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C15H14ClFN2O2/c16-13-9-12(5-6-14(13)17)21-8-7-20-11-3-1-10(2-4-11)15(18)19/h1-6,9H,7-8H2,(H3,18,19)
InChIKeyPHIRDZSYCLUDHU-UHFFFAOYSA-N
XLogP3.22
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-[2-(3,4-dichlorophenoxy)ethoxy]benzenecarboximidamide
CID 61301174
4-[(3-chloro-4-fluorophenyl)methoxy]benzenecarboximidamide
CID 103038182
4-[2-(2,6-difluorophenoxy)ethoxy]benzenecarboximidamide
CID 81264863
2-(3-chloro-4-fluorophenoxy)ethanimidamide
CID 63878137
4-[3-(4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide;hydrochloride
CID 44573593
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;dihydrochloride
CID 10431865
4-[8-(4-carbamimidoylphenoxy)octoxy]benzenecarboximidamide;methane
CID 158584747
4-[(3,4-dichlorophenoxy)methyl]-3-fluorobenzenecarboximidamide
CID 61000059
4-[2-(3-methoxyphenoxy)ethoxy]benzenecarboximidamide
CID 61299239
4-butoxybenzenecarboximidamide
CID 3015454
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;platinum(2+);diiodide
CID 10056078
4-[2-(4-bromophenoxy)ethoxy]-2-chlorobenzenecarboximidamide
CID 102724594

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chloro-4-fluorophenoxy)ethoxy]benzenecarboximidamide?
The IUPAC name of 4-[2-(3-chloro-4-fluorophenoxy)ethoxy]benzenecarboximidamide (CID 63880209) is 4-[2-(3-chloro-4-fluorophenoxy)ethoxy]benzenecarboximidamide.
What is the SMILES notation for 4-[2-(3-chloro-4-fluorophenoxy)ethoxy]benzenecarboximidamide?
The canonical SMILES for 4-[2-(3-chloro-4-fluorophenoxy)ethoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCCOc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 4-[2-(3-chloro-4-fluorophenoxy)ethoxy]benzenecarboximidamide?
The InChIKey is PHIRDZSYCLUDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c16-13-9-12(5-6-14(13)17)21-8-7-20-11-3-1-10(2-4-11)15(18)19/h1-6,9H,7-8H2,(H3,18,19).
What are the key properties of 4-[2-(3-chloro-4-fluorophenoxy)ethoxy]benzenecarboximidamide?
4-[2-(3-chloro-4-fluorophenoxy)ethoxy]benzenecarboximidamide has a molecular weight of 308.74 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chloro-4-fluorophenoxy)ethoxy]benzenecarboximidamide is sourced from PubChem (CID 63880209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).