4-chloro-N'-hydroxy-2-[methyl(propyl)amino]benzenecarboximidamide

C11H16ClN3O — CID 76984850

IUPAC4-chloro-N'-hydroxy-2-[methyl(propyl)amino]benzenecarboximidamide
SMILESCCCN(C)c1cc(Cl)ccc1C(N)=NO
InChIInChI=1S/C11H16ClN3O/c1-3-6-15(2)10-7-8(12)4-5-9(10)11(13)14-16/h4-5,7,16H,3,6H2,1-2H3,(H2,13,14)
InChIKeyXTXVUMPATZDOBH-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.28
Rot. Bonds4

About 4-chloro-N'-hydroxy-2-[methyl(propyl)amino]benzenecarboximidamide

4-chloro-N'-hydroxy-2-[methyl(propyl)amino]benzenecarboximidamide (PubChem CID 76984850) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-chloro-N'-hydroxy-2-[methyl(propyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-N'-hydroxy-2-[methyl(propyl)amino]benzenecarboximidamide
PubChem CID76984850
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name4-chloro-N'-hydroxy-2-[methyl(propyl)amino]benzenecarboximidamide
SMILESCCCN(C)c1cc(Cl)ccc1C(N)=NO
InChIInChI=1S/C11H16ClN3O/c1-3-6-15(2)10-7-8(12)4-5-9(10)11(13)14-16/h4-5,7,16H,3,6H2,1-2H3,(H2,13,14)
InChIKeyXTXVUMPATZDOBH-UHFFFAOYSA-N
XLogP2.28
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.28
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 4-chloro-N'-hydroxy-2-[methyl(propyl)amino]benzenecarboximidamide 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

4-chloro-N'-hydroxy-2-[2-hydroxyethyl(methyl)amino]benzenecarboximidamide
CID 76984760
4-chloro-N'-hydroxy-2-[2-methoxyethyl(methyl)amino]benzenecarboximidamide
CID 76985005
4-chloro-2-[cyclopentylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 77002613
4-chloro-N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide
CID 114949633
2-[butan-2-yl(butyl)amino]-4-chloro-N'-hydroxybenzenecarboximidamide
CID 76997753
4-chloro-2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 76984880
2-[(2-bromophenyl)methyl-methylamino]-4-chloro-N'-hydroxybenzenecarboximidamide
CID 76984935
4-chloro-2-[1-(dimethylamino)propan-2-yl-ethylamino]-N'-hydroxybenzenecarboximidamide
CID 103189143
4-chloro-N'-hydroxy-2-[2-hydroxyethyl(pentan-3-yl)amino]benzenecarboximidamide
CID 76984936
4-chloro-2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-N'-hydroxybenzenecarboximidamide
CID 76985058
2-[(3-chlorophenyl)methyl-methylamino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76939000
5-chloro-2-[methyl(propyl)amino]benzenecarboximidamide
CID 62493754

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-hydroxy-2-[methyl(propyl)amino]benzenecarboximidamide?
The IUPAC name of 4-chloro-N'-hydroxy-2-[methyl(propyl)amino]benzenecarboximidamide (CID 76984850) is 4-chloro-N'-hydroxy-2-[methyl(propyl)amino]benzenecarboximidamide.
What is the SMILES notation for 4-chloro-N'-hydroxy-2-[methyl(propyl)amino]benzenecarboximidamide?
The canonical SMILES for 4-chloro-N'-hydroxy-2-[methyl(propyl)amino]benzenecarboximidamide is CCCN(C)c1cc(Cl)ccc1C(N)=NO.
What is the InChIKey of 4-chloro-N'-hydroxy-2-[methyl(propyl)amino]benzenecarboximidamide?
The InChIKey is XTXVUMPATZDOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-3-6-15(2)10-7-8(12)4-5-9(10)11(13)14-16/h4-5,7,16H,3,6H2,1-2H3,(H2,13,14).
What are the key properties of 4-chloro-N'-hydroxy-2-[methyl(propyl)amino]benzenecarboximidamide?
4-chloro-N'-hydroxy-2-[methyl(propyl)amino]benzenecarboximidamide has a molecular weight of 241.72 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-hydroxy-2-[methyl(propyl)amino]benzenecarboximidamide is sourced from PubChem (CID 76984850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).