4-chloro-3-fluoro-N-hydroxy-N'-methylbenzenecarboximidamide

C8H8ClFN2O — CID 167173997

IUPAC4-chloro-3-fluoro-N-hydroxy-N'-methylbenzenecarboximidamide
SMILESC/N=C(\NO)c1ccc(Cl)c(F)c1
InChIInChI=1S/C8H8ClFN2O/c1-11-8(12-13)5-2-3-6(9)7(10)4-5/h2-4,13H,1H3,(H,11,12)
InChIKeyCPQQCRQZDMIROA-UHFFFAOYSA-N
MW202.62 g/mol
LogP1.83
Rot. Bonds1

About 4-chloro-3-fluoro-N-hydroxy-N'-methylbenzenecarboximidamide

4-chloro-3-fluoro-N-hydroxy-N'-methylbenzenecarboximidamide (PubChem CID 167173997) has the molecular formula C8H8ClFN2O and a molecular weight of 202.62 g/mol. Its IUPAC name is 4-chloro-3-fluoro-N-hydroxy-N'-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-3-fluoro-N-hydroxy-N'-methylbenzenecarboximidamide
PubChem CID167173997
Molecular FormulaC8H8ClFN2O
Molecular Weight202.62 g/mol
Exact Mass202.03
IUPAC Name4-chloro-3-fluoro-N-hydroxy-N'-methylbenzenecarboximidamide
SMILESC/N=C(\NO)c1ccc(Cl)c(F)c1
InChIInChI=1S/C8H8ClFN2O/c1-11-8(12-13)5-2-3-6(9)7(10)4-5/h2-4,13H,1H3,(H,11,12)
InChIKeyCPQQCRQZDMIROA-UHFFFAOYSA-N
XLogP1.83
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.62
LogP ≤ 51.83
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-N-hydroxy-N'-methylbenzenecarboximidamide?
The IUPAC name of 4-chloro-3-fluoro-N-hydroxy-N'-methylbenzenecarboximidamide (CID 167173997) is 4-chloro-3-fluoro-N-hydroxy-N'-methylbenzenecarboximidamide.
What is the SMILES notation for 4-chloro-3-fluoro-N-hydroxy-N'-methylbenzenecarboximidamide?
The canonical SMILES for 4-chloro-3-fluoro-N-hydroxy-N'-methylbenzenecarboximidamide is C/N=C(\NO)c1ccc(Cl)c(F)c1.
What is the InChIKey of 4-chloro-3-fluoro-N-hydroxy-N'-methylbenzenecarboximidamide?
The InChIKey is CPQQCRQZDMIROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFN2O/c1-11-8(12-13)5-2-3-6(9)7(10)4-5/h2-4,13H,1H3,(H,11,12).
What are the key properties of 4-chloro-3-fluoro-N-hydroxy-N'-methylbenzenecarboximidamide?
4-chloro-3-fluoro-N-hydroxy-N'-methylbenzenecarboximidamide has a molecular weight of 202.62 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-N-hydroxy-N'-methylbenzenecarboximidamide is sourced from PubChem (CID 167173997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).