2-[(3-chlorophenyl)methyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide

C16H18ClN3O — CID 107929799

IUPAC2-[(3-chlorophenyl)methyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide
SMILESCc1ccc(N(C)Cc2cccc(Cl)c2)c(/C(N)=N/O)c1
InChIInChI=1S/C16H18ClN3O/c1-11-6-7-15(14(8-11)16(18)19-21)20(2)10-12-4-3-5-13(17)9-12/h3-9,21H,10H2,1-2H3,(H2,18,19)
InChIKeyKJCYDFQNCQMQLQ-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.38
Rot. Bonds4

About 2-[(3-chlorophenyl)methyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide

2-[(3-chlorophenyl)methyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide (PubChem CID 107929799) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide
PubChem CID107929799
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name2-[(3-chlorophenyl)methyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide
SMILESCc1ccc(N(C)Cc2cccc(Cl)c2)c(/C(N)=N/O)c1
InChIInChI=1S/C16H18ClN3O/c1-11-6-7-15(14(8-11)16(18)19-21)20(2)10-12-4-3-5-13(17)9-12/h3-9,21H,10H2,1-2H3,(H2,18,19)
InChIKeyKJCYDFQNCQMQLQ-UHFFFAOYSA-N
XLogP3.38
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.38
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-[(3-chlorophenyl)methyl-methylamino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76939000
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929819
5-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzenecarbothioamide
CID 63518374
2-[(4-bromophenyl)methyl-methylamino]-5-chloro-N'-hydroxybenzenecarboximidamide
CID 76944640
4-bromo-N'-hydroxy-2-[methyl-[(3-methylphenyl)methyl]amino]benzenecarboximidamide
CID 114903931
2-[3-(dimethylamino)propyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929934
N'-hydroxy-5-methyl-2-[methyl(2-methylsulfanylethyl)amino]benzenecarboximidamide
CID 114017229
3-[[(3-chlorophenyl)methyl-methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 76903702
[4-[(3-chlorophenyl)methyl-methylamino]-3-methylphenyl]methanol
CID 62121892
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N,2-dimethylaniline
CID 61413515
4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzenecarboximidamide
CID 63093863
N'-hydroxy-5-methyl-2-[methyl(pentan-3-yl)amino]benzenecarboximidamide
CID 107929771

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide?
The IUPAC name of 2-[(3-chlorophenyl)methyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide (CID 107929799) is 2-[(3-chlorophenyl)methyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide?
The canonical SMILES for 2-[(3-chlorophenyl)methyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide is Cc1ccc(N(C)Cc2cccc(Cl)c2)c(/C(N)=N/O)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide?
The InChIKey is KJCYDFQNCQMQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-11-6-7-15(14(8-11)16(18)19-21)20(2)10-12-4-3-5-13(17)9-12/h3-9,21H,10H2,1-2H3,(H2,18,19).
What are the key properties of 2-[(3-chlorophenyl)methyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide?
2-[(3-chlorophenyl)methyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide has a molecular weight of 303.79 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide is sourced from PubChem (CID 107929799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).