3-chloro-4-(3,4-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide

C13H9Cl3N2O2 — CID 76984195

IUPAC3-chloro-4-(3,4-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(Oc2ccc(Cl)c(Cl)c2)c(Cl)c1
InChIInChI=1S/C13H9Cl3N2O2/c14-9-3-2-8(6-10(9)15)20-12-4-1-7(5-11(12)16)13(17)18-19/h1-6,19H,(H2,17,18)
InChIKeyBCPTWGOHJHAVDG-UHFFFAOYSA-N
MW331.59 g/mol
LogP4.53
Rot. Bonds3

About 3-chloro-4-(3,4-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide

3-chloro-4-(3,4-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide (PubChem CID 76984195) has the molecular formula C13H9Cl3N2O2 and a molecular weight of 331.59 g/mol. Its IUPAC name is 3-chloro-4-(3,4-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-4-(3,4-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
PubChem CID76984195
Molecular FormulaC13H9Cl3N2O2
Molecular Weight331.59 g/mol
Exact Mass329.97
IUPAC Name3-chloro-4-(3,4-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(Oc2ccc(Cl)c(Cl)c2)c(Cl)c1
InChIInChI=1S/C13H9Cl3N2O2/c14-9-3-2-8(6-10(9)15)20-12-4-1-7(5-11(12)16)13(17)18-19/h1-6,19H,(H2,17,18)
InChIKeyBCPTWGOHJHAVDG-UHFFFAOYSA-N
XLogP4.53
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.59
LogP ≤ 54.53
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N'-hydroxy-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107708937
2-chloro-N'-hydroxy-4-(2,4,5-trichlorophenoxy)benzenecarboximidamide
CID 76997706
2-bromo-4-(3,4-dichlorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107536180
3-chloro-N'-hydroxy-4-propan-2-yloxybenzenecarboximidamide
CID 59556565
3-(3,4-dichlorophenoxy)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
CID 136924935
3-chloro-4-(3-chloro-4-fluorophenoxy)benzenecarbothioamide
CID 55256885
3-chloro-4-[(2,5-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 77065131
5-(4-bromo-2-chlorophenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136990811
3-chloro-N'-hydroxy-4-phenylmethoxybenzenecarboximidamide
CID 76899274
3-chloro-N'-hydroxy-4-(2-methylbutan-2-yloxy)benzenecarboximidamide
CID 76984471
3-chloro-4-[(4-chloro-3-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 107881690
6-(4-chloro-3-fluorophenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 82716185

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3,4-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-chloro-4-(3,4-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide (CID 76984195) is 3-chloro-4-(3,4-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-chloro-4-(3,4-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-chloro-4-(3,4-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide is NC(=NO)c1ccc(Oc2ccc(Cl)c(Cl)c2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(3,4-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide?
The InChIKey is BCPTWGOHJHAVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3N2O2/c14-9-3-2-8(6-10(9)15)20-12-4-1-7(5-11(12)16)13(17)18-19/h1-6,19H,(H2,17,18).
What are the key properties of 3-chloro-4-(3,4-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide?
3-chloro-4-(3,4-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide has a molecular weight of 331.59 g/mol, XLogP of 4.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3,4-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76984195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).