5-chloro-N'-(3-chloro-4-fluorophenyl)-N-hydroxythiophene-2-carboximidamide

C11H7Cl2FN2OS — CID 166626418

IUPAC5-chloro-N'-(3-chloro-4-fluorophenyl)-N-hydroxythiophene-2-carboximidamide
SMILESON/C(=N\c1ccc(F)c(Cl)c1)c1ccc(Cl)s1
InChIInChI=1S/C11H7Cl2FN2OS/c12-7-5-6(1-2-8(7)14)15-11(16-17)9-3-4-10(13)18-9/h1-5,17H,(H,15,16)
InChIKeySIXAOFUSRBBKOS-UHFFFAOYSA-N
MW305.16 g/mol
LogP4.25
Rot. Bonds2

About 5-chloro-N'-(3-chloro-4-fluorophenyl)-N-hydroxythiophene-2-carboximidamide

5-chloro-N'-(3-chloro-4-fluorophenyl)-N-hydroxythiophene-2-carboximidamide (PubChem CID 166626418) has the molecular formula C11H7Cl2FN2OS and a molecular weight of 305.16 g/mol. Its IUPAC name is 5-chloro-N'-(3-chloro-4-fluorophenyl)-N-hydroxythiophene-2-carboximidamide.

Molecular Properties

Compound Name5-chloro-N'-(3-chloro-4-fluorophenyl)-N-hydroxythiophene-2-carboximidamide
PubChem CID166626418
Molecular FormulaC11H7Cl2FN2OS
Molecular Weight305.16 g/mol
Exact Mass303.96
IUPAC Name5-chloro-N'-(3-chloro-4-fluorophenyl)-N-hydroxythiophene-2-carboximidamide
SMILESON/C(=N\c1ccc(F)c(Cl)c1)c1ccc(Cl)s1
InChIInChI=1S/C11H7Cl2FN2OS/c12-7-5-6(1-2-8(7)14)15-11(16-17)9-3-4-10(13)18-9/h1-5,17H,(H,15,16)
InChIKeySIXAOFUSRBBKOS-UHFFFAOYSA-N
XLogP4.25
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 5-chloro-N'-(3-chloro-4-fluorophenyl)-N-hydroxythiophene-2-carboximidamide?
The IUPAC name of 5-chloro-N'-(3-chloro-4-fluorophenyl)-N-hydroxythiophene-2-carboximidamide (CID 166626418) is 5-chloro-N'-(3-chloro-4-fluorophenyl)-N-hydroxythiophene-2-carboximidamide.
What is the SMILES notation for 5-chloro-N'-(3-chloro-4-fluorophenyl)-N-hydroxythiophene-2-carboximidamide?
The canonical SMILES for 5-chloro-N'-(3-chloro-4-fluorophenyl)-N-hydroxythiophene-2-carboximidamide is ON/C(=N\c1ccc(F)c(Cl)c1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N'-(3-chloro-4-fluorophenyl)-N-hydroxythiophene-2-carboximidamide?
The InChIKey is SIXAOFUSRBBKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2FN2OS/c12-7-5-6(1-2-8(7)14)15-11(16-17)9-3-4-10(13)18-9/h1-5,17H,(H,15,16).
What are the key properties of 5-chloro-N'-(3-chloro-4-fluorophenyl)-N-hydroxythiophene-2-carboximidamide?
5-chloro-N'-(3-chloro-4-fluorophenyl)-N-hydroxythiophene-2-carboximidamide has a molecular weight of 305.16 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-(3-chloro-4-fluorophenyl)-N-hydroxythiophene-2-carboximidamide is sourced from PubChem (CID 166626418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).