2-chloro-N'-hydroxy-6-[methyl(2-phenylethyl)amino]benzenecarboximidamide

C16H18ClN3O — CID 77070412

IUPAC2-chloro-N'-hydroxy-6-[methyl(2-phenylethyl)amino]benzenecarboximidamide
SMILESCN(CCc1ccccc1)c1cccc(Cl)c1C(N)=NO
InChIInChI=1S/C16H18ClN3O/c1-20(11-10-12-6-3-2-4-7-12)14-9-5-8-13(17)15(14)16(18)19-21/h2-9,21H,10-11H2,1H3,(H2,18,19)
InChIKeySEWMGZURDRFEBD-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.11
Rot. Bonds5

About 2-chloro-N'-hydroxy-6-[methyl(2-phenylethyl)amino]benzenecarboximidamide

2-chloro-N'-hydroxy-6-[methyl(2-phenylethyl)amino]benzenecarboximidamide (PubChem CID 77070412) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-chloro-N'-hydroxy-6-[methyl(2-phenylethyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-N'-hydroxy-6-[methyl(2-phenylethyl)amino]benzenecarboximidamide
PubChem CID77070412
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name2-chloro-N'-hydroxy-6-[methyl(2-phenylethyl)amino]benzenecarboximidamide
SMILESCN(CCc1ccccc1)c1cccc(Cl)c1C(N)=NO
InChIInChI=1S/C16H18ClN3O/c1-20(11-10-12-6-3-2-4-7-12)14-9-5-8-13(17)15(14)16(18)19-21/h2-9,21H,10-11H2,1H3,(H2,18,19)
InChIKeySEWMGZURDRFEBD-UHFFFAOYSA-N
XLogP3.11
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.11
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-chloro-N'-hydroxy-6-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide
CID 76945369
3-chloro-1-N-methyl-1-N-(2-phenylethyl)benzene-1,2-diamine
CID 113458658
4-bromo-N'-hydroxy-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 114904090
N'-hydroxy-4-methyl-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 77070455
2-chloro-N'-hydroxy-6-[propan-2-yl(propyl)amino]benzenecarboximidamide
CID 55079599
N'-hydroxy-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
CID 76883719
3-chloro-N-methyl-2-(methylaminomethyl)-N-(2-phenylethyl)aniline
CID 65488208
2-chloro-6-[cyclopropyl(propyl)amino]-N'-hydroxybenzenecarboximidamide
CID 55079645
2-chloro-N'-hydroxy-6-[2-hydroxyethyl(pentan-3-yl)amino]benzenecarboximidamide
CID 76944987
2-chloro-6-[methyl(3-methylbutyl)amino]benzenecarbothioamide
CID 62495818
4-(2-carbamoyl-3-chloro-N-methylanilino)butanoic acid
CID 62502073
2-chloro-N'-hydroxy-6-[methyl-(1-methylpiperidin-4-yl)amino]benzenecarboximidamide
CID 76945394

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-hydroxy-6-[methyl(2-phenylethyl)amino]benzenecarboximidamide?
The IUPAC name of 2-chloro-N'-hydroxy-6-[methyl(2-phenylethyl)amino]benzenecarboximidamide (CID 77070412) is 2-chloro-N'-hydroxy-6-[methyl(2-phenylethyl)amino]benzenecarboximidamide.
What is the SMILES notation for 2-chloro-N'-hydroxy-6-[methyl(2-phenylethyl)amino]benzenecarboximidamide?
The canonical SMILES for 2-chloro-N'-hydroxy-6-[methyl(2-phenylethyl)amino]benzenecarboximidamide is CN(CCc1ccccc1)c1cccc(Cl)c1C(N)=NO.
What is the InChIKey of 2-chloro-N'-hydroxy-6-[methyl(2-phenylethyl)amino]benzenecarboximidamide?
The InChIKey is SEWMGZURDRFEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-20(11-10-12-6-3-2-4-7-12)14-9-5-8-13(17)15(14)16(18)19-21/h2-9,21H,10-11H2,1H3,(H2,18,19).
What are the key properties of 2-chloro-N'-hydroxy-6-[methyl(2-phenylethyl)amino]benzenecarboximidamide?
2-chloro-N'-hydroxy-6-[methyl(2-phenylethyl)amino]benzenecarboximidamide has a molecular weight of 303.79 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-hydroxy-6-[methyl(2-phenylethyl)amino]benzenecarboximidamide is sourced from PubChem (CID 77070412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).