2-chloro-N'-hydroxy-6-(2-methylphenoxy)benzenecarboximidamide

C14H13ClN2O2 — CID 76945119

IUPAC2-chloro-N'-hydroxy-6-(2-methylphenoxy)benzenecarboximidamide
SMILESCc1ccccc1Oc1cccc(Cl)c1C(N)=NO
InChIInChI=1S/C14H13ClN2O2/c1-9-5-2-3-7-11(9)19-12-8-4-6-10(15)13(12)14(16)17-18/h2-8,18H,1H3,(H2,16,17)
InChIKeyHHFPVORRUGSYNR-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.54
Rot. Bonds3

About 2-chloro-N'-hydroxy-6-(2-methylphenoxy)benzenecarboximidamide

2-chloro-N'-hydroxy-6-(2-methylphenoxy)benzenecarboximidamide (PubChem CID 76945119) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 2-chloro-N'-hydroxy-6-(2-methylphenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-N'-hydroxy-6-(2-methylphenoxy)benzenecarboximidamide
PubChem CID76945119
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name2-chloro-N'-hydroxy-6-(2-methylphenoxy)benzenecarboximidamide
SMILESCc1ccccc1Oc1cccc(Cl)c1C(N)=NO
InChIInChI=1S/C14H13ClN2O2/c1-9-5-2-3-7-11(9)19-12-8-4-6-10(15)13(12)14(16)17-18/h2-8,18H,1H3,(H2,16,17)
InChIKeyHHFPVORRUGSYNR-UHFFFAOYSA-N
XLogP3.54
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.54
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-(2,3,6-trimethylphenoxy)benzenecarboximidamide
CID 76997687
2-chloro-6-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 76999537
2-chloro-6-ethoxy-N'-hydroxybenzenecarboximidamide
CID 76945151
2-chloro-N'-hydroxy-6-(4-methylsulfanylphenoxy)benzenecarboximidamide
CID 77003464
2-(5-bromo-2-fluorophenoxy)-6-chloro-N'-hydroxybenzenecarboximidamide
CID 114673544
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-cyclohexyloxy-N'-hydroxybenzenecarboximidamide
CID 62496519
2-(3-chloro-2-fluorophenoxy)-N'-hydroxy-6-methylsulfanylbenzenecarboximidamide
CID 116689183
N'-hydroxy-2,6-dimethylbenzenecarboximidamide
CID 6299742

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-hydroxy-6-(2-methylphenoxy)benzenecarboximidamide?
The IUPAC name of 2-chloro-N'-hydroxy-6-(2-methylphenoxy)benzenecarboximidamide (CID 76945119) is 2-chloro-N'-hydroxy-6-(2-methylphenoxy)benzenecarboximidamide.
What is the SMILES notation for 2-chloro-N'-hydroxy-6-(2-methylphenoxy)benzenecarboximidamide?
The canonical SMILES for 2-chloro-N'-hydroxy-6-(2-methylphenoxy)benzenecarboximidamide is Cc1ccccc1Oc1cccc(Cl)c1C(N)=NO.
What is the InChIKey of 2-chloro-N'-hydroxy-6-(2-methylphenoxy)benzenecarboximidamide?
The InChIKey is HHFPVORRUGSYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-9-5-2-3-7-11(9)19-12-8-4-6-10(15)13(12)14(16)17-18/h2-8,18H,1H3,(H2,16,17).
What are the key properties of 2-chloro-N'-hydroxy-6-(2-methylphenoxy)benzenecarboximidamide?
2-chloro-N'-hydroxy-6-(2-methylphenoxy)benzenecarboximidamide has a molecular weight of 276.72 g/mol, XLogP of 3.54, 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-methylphenoxy)benzenecarboximidamide is sourced from PubChem (CID 76945119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).