2-chloro-N'-hydroxy-4-(2,4,5-trichlorophenoxy)benzenecarboximidamide

C13H8Cl4N2O2 — CID 76997706

IUPAC2-chloro-N'-hydroxy-4-(2,4,5-trichlorophenoxy)benzenecarboximidamide
SMILESNC(=NO)c1ccc(Oc2cc(Cl)c(Cl)cc2Cl)cc1Cl
InChIInChI=1S/C13H8Cl4N2O2/c14-8-3-6(1-2-7(8)13(18)19-20)21-12-5-10(16)9(15)4-11(12)17/h1-5,20H,(H2,18,19)
InChIKeyJXGUTBWSNZLHRJ-UHFFFAOYSA-N
MW366.03 g/mol
LogP5.19
Rot. Bonds3

About 2-chloro-N'-hydroxy-4-(2,4,5-trichlorophenoxy)benzenecarboximidamide

2-chloro-N'-hydroxy-4-(2,4,5-trichlorophenoxy)benzenecarboximidamide (PubChem CID 76997706) has the molecular formula C13H8Cl4N2O2 and a molecular weight of 366.03 g/mol. Its IUPAC name is 2-chloro-N'-hydroxy-4-(2,4,5-trichlorophenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-N'-hydroxy-4-(2,4,5-trichlorophenoxy)benzenecarboximidamide
PubChem CID76997706
Molecular FormulaC13H8Cl4N2O2
Molecular Weight366.03 g/mol
Exact Mass363.93
IUPAC Name2-chloro-N'-hydroxy-4-(2,4,5-trichlorophenoxy)benzenecarboximidamide
SMILESNC(=NO)c1ccc(Oc2cc(Cl)c(Cl)cc2Cl)cc1Cl
InChIInChI=1S/C13H8Cl4N2O2/c14-8-3-6(1-2-7(8)13(18)19-20)21-12-5-10(16)9(15)4-11(12)17/h1-5,20H,(H2,18,19)
InChIKeyJXGUTBWSNZLHRJ-UHFFFAOYSA-N
XLogP5.19
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.03
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'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

2-chloro-4-(2,4,5-trichlorophenoxy)benzenecarbothioamide
CID 63519627
2-chloro-N'-hydroxy-4-(2-methoxyphenoxy)benzenecarboximidamide
CID 76981571
2-bromo-4-(4-bromo-2,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 107658343
4-(2-bromo-4-methoxyphenoxy)-2-chloro-N'-hydroxybenzenecarboximidamide
CID 104707751
2-chloro-4-(4-chloro-3-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 82717050
4-(4-bromo-2,5-dichlorophenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide
CID 107658362
3-chloro-4-(3,4-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 76984195
2-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxybenzenecarboximidamide
CID 76981546
2-bromo-4-(3,4-dichlorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107536180
2-chloro-4-(difluoromethoxy)-N'-hydroxybenzenecarboximidamide
CID 102724409
N'-hydroxy-2-(2,4,5-trichlorophenoxy)pyridine-3-carboximidamide
CID 43108551
2-chloro-N'-hydroxy-4-[3-(hydroxymethyl)phenoxy]benzenecarboximidamide
CID 76981418

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-hydroxy-4-(2,4,5-trichlorophenoxy)benzenecarboximidamide?
The IUPAC name of 2-chloro-N'-hydroxy-4-(2,4,5-trichlorophenoxy)benzenecarboximidamide (CID 76997706) is 2-chloro-N'-hydroxy-4-(2,4,5-trichlorophenoxy)benzenecarboximidamide.
What is the SMILES notation for 2-chloro-N'-hydroxy-4-(2,4,5-trichlorophenoxy)benzenecarboximidamide?
The canonical SMILES for 2-chloro-N'-hydroxy-4-(2,4,5-trichlorophenoxy)benzenecarboximidamide is NC(=NO)c1ccc(Oc2cc(Cl)c(Cl)cc2Cl)cc1Cl.
What is the InChIKey of 2-chloro-N'-hydroxy-4-(2,4,5-trichlorophenoxy)benzenecarboximidamide?
The InChIKey is JXGUTBWSNZLHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl4N2O2/c14-8-3-6(1-2-7(8)13(18)19-20)21-12-5-10(16)9(15)4-11(12)17/h1-5,20H,(H2,18,19).
What are the key properties of 2-chloro-N'-hydroxy-4-(2,4,5-trichlorophenoxy)benzenecarboximidamide?
2-chloro-N'-hydroxy-4-(2,4,5-trichlorophenoxy)benzenecarboximidamide has a molecular weight of 366.03 g/mol, XLogP of 5.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-hydroxy-4-(2,4,5-trichlorophenoxy)benzenecarboximidamide is sourced from PubChem (CID 76997706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).