2-[(2,3-dichlorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide

C15H15Cl2N3O — CID 107306598

IUPAC2-[(2,3-dichlorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
SMILESCN(Cc1cccc(Cl)c1Cl)c1ccccc1/C(N)=N/O
InChIInChI=1S/C15H15Cl2N3O/c1-20(9-10-5-4-7-12(16)14(10)17)13-8-3-2-6-11(13)15(18)19-21/h2-8,21H,9H2,1H3,(H2,18,19)
InChIKeyBBUONSFXOWXOMZ-UHFFFAOYSA-N
MW324.21 g/mol
LogP3.72
Rot. Bonds4

About 2-[(2,3-dichlorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide

2-[(2,3-dichlorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide (PubChem CID 107306598) has the molecular formula C15H15Cl2N3O and a molecular weight of 324.21 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[(2,3-dichlorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
PubChem CID107306598
Molecular FormulaC15H15Cl2N3O
Molecular Weight324.21 g/mol
Exact Mass323.06
IUPAC Name2-[(2,3-dichlorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
SMILESCN(Cc1cccc(Cl)c1Cl)c1ccccc1/C(N)=N/O
InChIInChI=1S/C15H15Cl2N3O/c1-20(9-10-5-4-7-12(16)14(10)17)13-8-3-2-6-11(13)15(18)19-21/h2-8,21H,9H2,1H3,(H2,18,19)
InChIKeyBBUONSFXOWXOMZ-UHFFFAOYSA-N
XLogP3.72
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 53.72
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

2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 61442073
2-[(2-chlorophenyl)methyl-methylamino]benzenecarbothioamide
CID 61417210
4-chloro-2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 76984880
2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 114346077
2-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 55226951
2-[(2-bromophenyl)methyl-methylamino]-4-chloro-N'-hydroxybenzenecarboximidamide
CID 76984935
2-[(2,3-dichlorophenyl)methyl-methylamino]benzonitrile
CID 103604235
2-chloro-N'-hydroxybenzenecarboximidamide
CID 3748706
N'-hydroxy-2-[methyl(pentyl)amino]benzenecarboximidamide
CID 43294941
bis(2-chloro-N'-hydroxybenzenecarboximidamide);dihydrate
CID 139071341
3-chloro-4-[(N,2-dimethylanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 102666909
2-[(4-fluoro-N-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 76929854

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[(2,3-dichlorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide (CID 107306598) is 2-[(2,3-dichlorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[(2,3-dichlorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[(2,3-dichlorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide is CN(Cc1cccc(Cl)c1Cl)c1ccccc1/C(N)=N/O.
What is the InChIKey of 2-[(2,3-dichlorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide?
The InChIKey is BBUONSFXOWXOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O/c1-20(9-10-5-4-7-12(16)14(10)17)13-8-3-2-6-11(13)15(18)19-21/h2-8,21H,9H2,1H3,(H2,18,19).
What are the key properties of 2-[(2,3-dichlorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide?
2-[(2,3-dichlorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide has a molecular weight of 324.21 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichlorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 107306598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).