N'-hydroxy-5-methyl-2-phenoxybenzenecarboximidamide

C14H14N2O2 — CID 107930097

IUPACN'-hydroxy-5-methyl-2-phenoxybenzenecarboximidamide
SMILESCc1ccc(Oc2ccccc2)c(/C(N)=N/O)c1
InChIInChI=1S/C14H14N2O2/c1-10-7-8-13(12(9-10)14(15)16-17)18-11-5-3-2-4-6-11/h2-9,17H,1H3,(H2,15,16)
InChIKeyRBQRKVXYGAUKLD-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.88
Rot. Bonds3

About N'-hydroxy-5-methyl-2-phenoxybenzenecarboximidamide

N'-hydroxy-5-methyl-2-phenoxybenzenecarboximidamide (PubChem CID 107930097) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is N'-hydroxy-5-methyl-2-phenoxybenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-methyl-2-phenoxybenzenecarboximidamide
PubChem CID107930097
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC NameN'-hydroxy-5-methyl-2-phenoxybenzenecarboximidamide
SMILESCc1ccc(Oc2ccccc2)c(/C(N)=N/O)c1
InChIInChI=1S/C14H14N2O2/c1-10-7-8-13(12(9-10)14(15)16-17)18-11-5-3-2-4-6-11/h2-9,17H,1H3,(H2,15,16)
InChIKeyRBQRKVXYGAUKLD-UHFFFAOYSA-N
XLogP2.88
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.88
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'}

Analyze N'-hydroxy-5-methyl-2-phenoxybenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930089
N'-hydroxy-2-phenoxybenzenecarboximidamide
CID 51603436
5-bromo-N'-hydroxy-2-(4-methylphenoxy)benzenecarboximidamide
CID 114892715
2-(2,3-dimethylphenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930140
N'-hydroxy-4-methyl-2-(4-methylphenoxy)benzenecarboximidamide
CID 55056871
2-(3-bromo-5-fluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930240
2-(2,4-difluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930131
2-butoxy-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930175
2-(4-fluorophenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76939029
2-(3,5-dimethylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004432
5-chloro-2-(2-chloro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 76953392
2-(5-bromo-2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930220

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-methyl-2-phenoxybenzenecarboximidamide?
The IUPAC name of N'-hydroxy-5-methyl-2-phenoxybenzenecarboximidamide (CID 107930097) is N'-hydroxy-5-methyl-2-phenoxybenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-5-methyl-2-phenoxybenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-5-methyl-2-phenoxybenzenecarboximidamide is Cc1ccc(Oc2ccccc2)c(/C(N)=N/O)c1.
What is the InChIKey of N'-hydroxy-5-methyl-2-phenoxybenzenecarboximidamide?
The InChIKey is RBQRKVXYGAUKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-10-7-8-13(12(9-10)14(15)16-17)18-11-5-3-2-4-6-11/h2-9,17H,1H3,(H2,15,16).
What are the key properties of N'-hydroxy-5-methyl-2-phenoxybenzenecarboximidamide?
N'-hydroxy-5-methyl-2-phenoxybenzenecarboximidamide has a molecular weight of 242.28 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-methyl-2-phenoxybenzenecarboximidamide is sourced from PubChem (CID 107930097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).