4-chloro-N'-[(2-chloro-6-fluorophenyl)methoxy]benzenecarboximidamide

C14H11Cl2FN2O — CID 2805416

IUPAC4-chloro-N'-[(2-chloro-6-fluorophenyl)methoxy]benzenecarboximidamide
SMILESNC(=NOCc1c(F)cccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C14H11Cl2FN2O/c15-10-6-4-9(5-7-10)14(18)19-20-8-11-12(16)2-1-3-13(11)17/h1-7H,8H2,(H2,18,19)
InChIKeyPIOIDRNURAIQDD-UHFFFAOYSA-N
MW313.16 g/mol
LogP3.97
Rot. Bonds4

About 4-chloro-N'-[(2-chloro-6-fluorophenyl)methoxy]benzenecarboximidamide

4-chloro-N'-[(2-chloro-6-fluorophenyl)methoxy]benzenecarboximidamide (PubChem CID 2805416) has the molecular formula C14H11Cl2FN2O and a molecular weight of 313.16 g/mol. Its IUPAC name is 4-chloro-N'-[(2-chloro-6-fluorophenyl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-N'-[(2-chloro-6-fluorophenyl)methoxy]benzenecarboximidamide
PubChem CID2805416
Molecular FormulaC14H11Cl2FN2O
Molecular Weight313.16 g/mol
Exact Mass312.02
IUPAC Name4-chloro-N'-[(2-chloro-6-fluorophenyl)methoxy]benzenecarboximidamide
SMILESNC(=NOCc1c(F)cccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C14H11Cl2FN2O/c15-10-6-4-9(5-7-10)14(18)19-20-8-11-12(16)2-1-3-13(11)17/h1-7H,8H2,(H2,18,19)
InChIKeyPIOIDRNURAIQDD-UHFFFAOYSA-N
XLogP3.97
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[(2-chloro-6-fluorophenyl)methoxy]benzenecarboximidamide?
The IUPAC name of 4-chloro-N'-[(2-chloro-6-fluorophenyl)methoxy]benzenecarboximidamide (CID 2805416) is 4-chloro-N'-[(2-chloro-6-fluorophenyl)methoxy]benzenecarboximidamide.
What is the SMILES notation for 4-chloro-N'-[(2-chloro-6-fluorophenyl)methoxy]benzenecarboximidamide?
The canonical SMILES for 4-chloro-N'-[(2-chloro-6-fluorophenyl)methoxy]benzenecarboximidamide is NC(=NOCc1c(F)cccc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-[(2-chloro-6-fluorophenyl)methoxy]benzenecarboximidamide?
The InChIKey is PIOIDRNURAIQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FN2O/c15-10-6-4-9(5-7-10)14(18)19-20-8-11-12(16)2-1-3-13(11)17/h1-7H,8H2,(H2,18,19).
What are the key properties of 4-chloro-N'-[(2-chloro-6-fluorophenyl)methoxy]benzenecarboximidamide?
4-chloro-N'-[(2-chloro-6-fluorophenyl)methoxy]benzenecarboximidamide has a molecular weight of 313.16 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[(2-chloro-6-fluorophenyl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 2805416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).