4-chloro-N'-hydroxy-2-(2,3,6-trimethylphenoxy)benzenecarboximidamide

C16H17ClN2O2 — CID 76997712

IUPAC4-chloro-N'-hydroxy-2-(2,3,6-trimethylphenoxy)benzenecarboximidamide
SMILESCc1ccc(C)c(Oc2cc(Cl)ccc2C(N)=NO)c1C
InChIInChI=1S/C16H17ClN2O2/c1-9-4-5-10(2)15(11(9)3)21-14-8-12(17)6-7-13(14)16(18)19-20/h4-8,20H,1-3H3,(H2,18,19)
InChIKeyLWTANDVRZOMTLT-UHFFFAOYSA-N
MW304.78 g/mol
LogP4.15
Rot. Bonds3

About 4-chloro-N'-hydroxy-2-(2,3,6-trimethylphenoxy)benzenecarboximidamide

4-chloro-N'-hydroxy-2-(2,3,6-trimethylphenoxy)benzenecarboximidamide (PubChem CID 76997712) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 4-chloro-N'-hydroxy-2-(2,3,6-trimethylphenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-N'-hydroxy-2-(2,3,6-trimethylphenoxy)benzenecarboximidamide
PubChem CID76997712
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name4-chloro-N'-hydroxy-2-(2,3,6-trimethylphenoxy)benzenecarboximidamide
SMILESCc1ccc(C)c(Oc2cc(Cl)ccc2C(N)=NO)c1C
InChIInChI=1S/C16H17ClN2O2/c1-9-4-5-10(2)15(11(9)3)21-14-8-12(17)6-7-13(14)16(18)19-20/h4-8,20H,1-3H3,(H2,18,19)
InChIKeyLWTANDVRZOMTLT-UHFFFAOYSA-N
XLogP4.15
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 54.15
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

5-chloro-2-(2,3,6-trimethylphenoxy)benzenecarbothioamide
CID 63517915
4-chloro-N'-hydroxy-2-(3-methylphenoxy)benzenecarboximidamide
CID 76984915
2-(4-chloro-2-methylphenoxy)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109614
4-chloro-N'-hydroxy-2-(4-propan-2-ylphenoxy)benzenecarboximidamide
CID 76999572
2-chloro-N'-hydroxy-6-(2,3,6-trimethylphenoxy)benzenecarboximidamide
CID 76997687
2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43199996
4-chloro-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N'-hydroxybenzenecarboximidamide
CID 103174823
4-chloro-N'-hydroxy-2-(methoxymethoxy)benzenecarboximidamide
CID 114323364
4-chloro-2-(3-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 55182535
4-chloro-2-(3-chloro-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 116689156
4-bromo-2-(5-bromo-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 107284634
2-(4-chloro-2-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916435

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-hydroxy-2-(2,3,6-trimethylphenoxy)benzenecarboximidamide?
The IUPAC name of 4-chloro-N'-hydroxy-2-(2,3,6-trimethylphenoxy)benzenecarboximidamide (CID 76997712) is 4-chloro-N'-hydroxy-2-(2,3,6-trimethylphenoxy)benzenecarboximidamide.
What is the SMILES notation for 4-chloro-N'-hydroxy-2-(2,3,6-trimethylphenoxy)benzenecarboximidamide?
The canonical SMILES for 4-chloro-N'-hydroxy-2-(2,3,6-trimethylphenoxy)benzenecarboximidamide is Cc1ccc(C)c(Oc2cc(Cl)ccc2C(N)=NO)c1C.
What is the InChIKey of 4-chloro-N'-hydroxy-2-(2,3,6-trimethylphenoxy)benzenecarboximidamide?
The InChIKey is LWTANDVRZOMTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-9-4-5-10(2)15(11(9)3)21-14-8-12(17)6-7-13(14)16(18)19-20/h4-8,20H,1-3H3,(H2,18,19).
What are the key properties of 4-chloro-N'-hydroxy-2-(2,3,6-trimethylphenoxy)benzenecarboximidamide?
4-chloro-N'-hydroxy-2-(2,3,6-trimethylphenoxy)benzenecarboximidamide has a molecular weight of 304.78 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-hydroxy-2-(2,3,6-trimethylphenoxy)benzenecarboximidamide is sourced from PubChem (CID 76997712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).