3-chloro-N'-hydroxy-4-propan-2-yloxybenzenecarboximidamide

C10H13ClN2O2 — CID 59556565

IUPAC3-chloro-N'-hydroxy-4-propan-2-yloxybenzenecarboximidamide
SMILESCC(C)Oc1ccc(/C(N)=N/O)cc1Cl
InChIInChI=1S/C10H13ClN2O2/c1-6(2)15-9-4-3-7(5-8(9)11)10(12)13-14/h3-6,14H,1-2H3,(H2,12,13)
InChIKeyMUCYUTNGHUVNLM-UHFFFAOYSA-N
MW228.68 g/mol
LogP2.22
Rot. Bonds3

About 3-chloro-N'-hydroxy-4-propan-2-yloxybenzenecarboximidamide

3-chloro-N'-hydroxy-4-propan-2-yloxybenzenecarboximidamide (PubChem CID 59556565) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 3-chloro-N'-hydroxy-4-propan-2-yloxybenzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-N'-hydroxy-4-propan-2-yloxybenzenecarboximidamide
PubChem CID59556565
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name3-chloro-N'-hydroxy-4-propan-2-yloxybenzenecarboximidamide
SMILESCC(C)Oc1ccc(/C(N)=N/O)cc1Cl
InChIInChI=1S/C10H13ClN2O2/c1-6(2)15-9-4-3-7(5-8(9)11)10(12)13-14/h3-6,14H,1-2H3,(H2,12,13)
InChIKeyMUCYUTNGHUVNLM-UHFFFAOYSA-N
XLogP2.22
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 52.22
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 3-chloro-N'-hydroxy-4-propan-2-yloxybenzenecarboximidamide 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

3-chloro-N'-hydroxy-4-(1-methoxypropan-2-yloxy)benzenecarboximidamide
CID 77015882
3-chloro-4-propan-2-yloxybenzoic acid
CID 22597728
3-chloro-4-(3,4-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 76984195
N'-amino-4-chloro-3-propan-2-yloxybenzenecarboximidamide;hydrochloride
CID 175806924
3-chloro-N'-hydroxy-4-(2-methylbutan-2-yloxy)benzenecarboximidamide
CID 76984471
(2R)-2-(2,4-dichlorophenoxy)-N'-hydroxypropanimidamide
CID 7222417
3-chloro-4-(3,5-dimethylcyclohexyl)oxy-N'-hydroxybenzenecarboximidamide
CID 77054310
3-chloro-4-[(4-ethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 76929913
3-chloro-N'-hydroxy-4-phenylmethoxybenzenecarboximidamide
CID 76899274
3-chloro-4-[(4-chloro-3-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 107881690
(3-chloro-4-propan-2-yloxyphenyl)-cyclopropylmethanone
CID 82292335
3-chloro-N'-hydroxy-4-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide
CID 103177820

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-hydroxy-4-propan-2-yloxybenzenecarboximidamide?
The IUPAC name of 3-chloro-N'-hydroxy-4-propan-2-yloxybenzenecarboximidamide (CID 59556565) is 3-chloro-N'-hydroxy-4-propan-2-yloxybenzenecarboximidamide.
What is the SMILES notation for 3-chloro-N'-hydroxy-4-propan-2-yloxybenzenecarboximidamide?
The canonical SMILES for 3-chloro-N'-hydroxy-4-propan-2-yloxybenzenecarboximidamide is CC(C)Oc1ccc(/C(N)=N/O)cc1Cl.
What is the InChIKey of 3-chloro-N'-hydroxy-4-propan-2-yloxybenzenecarboximidamide?
The InChIKey is MUCYUTNGHUVNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-6(2)15-9-4-3-7(5-8(9)11)10(12)13-14/h3-6,14H,1-2H3,(H2,12,13).
What are the key properties of 3-chloro-N'-hydroxy-4-propan-2-yloxybenzenecarboximidamide?
3-chloro-N'-hydroxy-4-propan-2-yloxybenzenecarboximidamide has a molecular weight of 228.68 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-hydroxy-4-propan-2-yloxybenzenecarboximidamide is sourced from PubChem (CID 59556565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).