2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide

C14H13ClN2O2 — CID 43199996

IUPAC2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
SMILESCc1cc(Cl)ccc1Oc1ccccc1/C(N)=N/O
InChIInChI=1S/C14H13ClN2O2/c1-9-8-10(15)6-7-12(9)19-13-5-3-2-4-11(13)14(16)17-18/h2-8,18H,1H3,(H2,16,17)
InChIKeyYKYRMVYKIFXFFG-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.54
Rot. Bonds3

About 2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide

2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide (PubChem CID 43199996) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
PubChem CID43199996
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
SMILESCc1cc(Cl)ccc1Oc1ccccc1/C(N)=N/O
InChIInChI=1S/C14H13ClN2O2/c1-9-8-10(15)6-7-12(9)19-13-5-3-2-4-11(13)14(16)17-18/h2-8,18H,1H3,(H2,16,17)
InChIKeyYKYRMVYKIFXFFG-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

5-bromo-2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892706
2-(4-chloro-2-methylphenoxy)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109614
2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 43199980
2-(4-chloro-2-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916435
4-chloro-2-methyl-1-(2-methylphenoxy)benzene
CID 62706685
5-chloro-2-(2-chloro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 76953392
2-(2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930089
2-(2,6-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43200038
5-chloro-2-(2,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 76992475
2-(2-bromo-4-methylphenoxy)-5-chloro-N'-hydroxybenzenecarboximidamide
CID 76944539
5-chloro-N'-hydroxy-2-(2-nitrophenoxy)benzenecarboximidamide
CID 76944716
4-chloro-N'-hydroxy-2-(2,3,6-trimethylphenoxy)benzenecarboximidamide
CID 76997712

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide (CID 43199996) is 2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide is Cc1cc(Cl)ccc1Oc1ccccc1/C(N)=N/O.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide?
The InChIKey is YKYRMVYKIFXFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-9-8-10(15)6-7-12(9)19-13-5-3-2-4-11(13)14(16)17-18/h2-8,18H,1H3,(H2,16,17).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide?
2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide 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-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 43199996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).