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

C16H17ClN2O2 — CID 76997687

IUPAC2-chloro-N'-hydroxy-6-(2,3,6-trimethylphenoxy)benzenecarboximidamide
SMILESCc1ccc(C)c(Oc2cccc(Cl)c2C(N)=NO)c1C
InChIInChI=1S/C16H17ClN2O2/c1-9-7-8-10(2)15(11(9)3)21-13-6-4-5-12(17)14(13)16(18)19-20/h4-8,20H,1-3H3,(H2,18,19)
InChIKeyVHPFJJFNNWQOTL-UHFFFAOYSA-N
MW304.78 g/mol
LogP4.15
Rot. Bonds3

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

2-chloro-N'-hydroxy-6-(2,3,6-trimethylphenoxy)benzenecarboximidamide (PubChem CID 76997687) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-chloro-N'-hydroxy-6-(2,3,6-trimethylphenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-N'-hydroxy-6-(2,3,6-trimethylphenoxy)benzenecarboximidamide
PubChem CID76997687
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-chloro-N'-hydroxy-6-(2,3,6-trimethylphenoxy)benzenecarboximidamide
SMILESCc1ccc(C)c(Oc2cccc(Cl)c2C(N)=NO)c1C
InChIInChI=1S/C16H17ClN2O2/c1-9-7-8-10(2)15(11(9)3)21-13-6-4-5-12(17)14(13)16(18)19-20/h4-8,20H,1-3H3,(H2,18,19)
InChIKeyVHPFJJFNNWQOTL-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

2-chloro-N'-hydroxy-6-(2-methylphenoxy)benzenecarboximidamide
CID 76945119
2-chloro-6-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 76999537
4-chloro-N'-hydroxy-2-(2,3,6-trimethylphenoxy)benzenecarboximidamide
CID 76997712
2-bromo-6-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114883438
[2-chloro-6-(2,3,6-trimethylphenoxy)phenyl]methanol
CID 43345619
2-chloro-6-ethoxy-N'-hydroxybenzenecarboximidamide
CID 76945151
2-chloro-N'-hydroxy-6-(4-methylsulfanylphenoxy)benzenecarboximidamide
CID 77003464
2-chloro-N'-hydroxy-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenecarboximidamide
CID 106597229
2-chloro-6-[3-(dimethylamino)phenoxy]-N'-hydroxybenzenecarboximidamide
CID 76945186
2-butoxy-6-chloro-N'-hydroxybenzenecarboximidamide
CID 76945137
2-chloro-N'-hydroxy-6-[(4-methylphenyl)methoxy]benzenecarboximidamide
CID 114323317
2-chloro-6-(2,3,6-trimethylphenoxy)benzaldehyde
CID 43167605

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-hydroxy-6-(2,3,6-trimethylphenoxy)benzenecarboximidamide?
The IUPAC name of 2-chloro-N'-hydroxy-6-(2,3,6-trimethylphenoxy)benzenecarboximidamide (CID 76997687) is 2-chloro-N'-hydroxy-6-(2,3,6-trimethylphenoxy)benzenecarboximidamide.
What is the SMILES notation for 2-chloro-N'-hydroxy-6-(2,3,6-trimethylphenoxy)benzenecarboximidamide?
The canonical SMILES for 2-chloro-N'-hydroxy-6-(2,3,6-trimethylphenoxy)benzenecarboximidamide is Cc1ccc(C)c(Oc2cccc(Cl)c2C(N)=NO)c1C.
What is the InChIKey of 2-chloro-N'-hydroxy-6-(2,3,6-trimethylphenoxy)benzenecarboximidamide?
The InChIKey is VHPFJJFNNWQOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-9-7-8-10(2)15(11(9)3)21-13-6-4-5-12(17)14(13)16(18)19-20/h4-8,20H,1-3H3,(H2,18,19).
What are the key properties of 2-chloro-N'-hydroxy-6-(2,3,6-trimethylphenoxy)benzenecarboximidamide?
2-chloro-N'-hydroxy-6-(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 2-chloro-N'-hydroxy-6-(2,3,6-trimethylphenoxy)benzenecarboximidamide is sourced from PubChem (CID 76997687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).