2-butoxy-6-chloro-N'-hydroxybenzenecarboximidamide

C11H15ClN2O2 — CID 76945137

IUPAC2-butoxy-6-chloro-N'-hydroxybenzenecarboximidamide
SMILESCCCCOc1cccc(Cl)c1C(N)=NO
InChIInChI=1S/C11H15ClN2O2/c1-2-3-7-16-9-6-4-5-8(12)10(9)11(13)14-15/h4-6,15H,2-3,7H2,1H3,(H2,13,14)
InChIKeyUGHMQUZVHJPMFT-UHFFFAOYSA-N
MW242.71 g/mol
LogP2.61
Rot. Bonds5

About 2-butoxy-6-chloro-N'-hydroxybenzenecarboximidamide

2-butoxy-6-chloro-N'-hydroxybenzenecarboximidamide (PubChem CID 76945137) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-butoxy-6-chloro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-butoxy-6-chloro-N'-hydroxybenzenecarboximidamide
PubChem CID76945137
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name2-butoxy-6-chloro-N'-hydroxybenzenecarboximidamide
SMILESCCCCOc1cccc(Cl)c1C(N)=NO
InChIInChI=1S/C11H15ClN2O2/c1-2-3-7-16-9-6-4-5-8(12)10(9)11(13)14-15/h4-6,15H,2-3,7H2,1H3,(H2,13,14)
InChIKeyUGHMQUZVHJPMFT-UHFFFAOYSA-N
XLogP2.61
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2-butoxy-6-chloro-N'-hydroxybenzenecarboximidamide 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-chloro-6-ethoxy-N'-hydroxybenzenecarboximidamide
CID 76945151
2-bromo-6-(2-butoxyethoxy)-N'-hydroxybenzenecarboximidamide
CID 114883463
2-chloro-N'-hydroxy-6-(2,2,2-trifluoroethoxy)benzenecarboximidamide
CID 55079423
2-chloro-N'-hydroxy-6-[(4-methylphenyl)methoxy]benzenecarboximidamide
CID 114323317
2-chloro-6-[(3,4-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114323309
2-chloro-N'-hydroxy-6-(thiophen-2-ylmethoxy)benzenecarboximidamide
CID 76944983
2-chloro-N'-hydroxy-6-(2-methylphenoxy)benzenecarboximidamide
CID 76945119
2-chloro-N'-hydroxy-6-[(1-methylpyrazol-4-yl)methoxy]benzenecarboximidamide
CID 114323249
2-chloro-N'-hydroxy-6-(4-methylsulfanylphenoxy)benzenecarboximidamide
CID 77003464
2-[(5-bromothiophen-2-yl)methoxy]-6-chloro-N'-hydroxybenzenecarboximidamide
CID 114323283
N'-hydroxy-2-(2-propoxyphenoxy)benzenecarboximidamide
CID 43200019
2-chloro-6-cyclohexyloxy-N'-hydroxybenzenecarboximidamide
CID 62496519

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-6-chloro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-butoxy-6-chloro-N'-hydroxybenzenecarboximidamide (CID 76945137) is 2-butoxy-6-chloro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-butoxy-6-chloro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-butoxy-6-chloro-N'-hydroxybenzenecarboximidamide is CCCCOc1cccc(Cl)c1C(N)=NO.
What is the InChIKey of 2-butoxy-6-chloro-N'-hydroxybenzenecarboximidamide?
The InChIKey is UGHMQUZVHJPMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-2-3-7-16-9-6-4-5-8(12)10(9)11(13)14-15/h4-6,15H,2-3,7H2,1H3,(H2,13,14).
What are the key properties of 2-butoxy-6-chloro-N'-hydroxybenzenecarboximidamide?
2-butoxy-6-chloro-N'-hydroxybenzenecarboximidamide has a molecular weight of 242.71 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-6-chloro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76945137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).