2-bromo-6-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide

C15H15BrFN3O — CID 114883138

IUPAC2-bromo-6-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
SMILESCN(Cc1ccccc1F)c1cccc(Br)c1/C(N)=N/O
InChIInChI=1S/C15H15BrFN3O/c1-20(9-10-5-2-3-7-12(10)17)13-8-4-6-11(16)14(13)15(18)19-21/h2-8,21H,9H2,1H3,(H2,18,19)
InChIKeyUPDRHOWUHKIUIN-UHFFFAOYSA-N
MW352.21 g/mol
LogP3.32
Rot. Bonds4

About 2-bromo-6-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide

2-bromo-6-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide (PubChem CID 114883138) has the molecular formula C15H15BrFN3O and a molecular weight of 352.21 g/mol. Its IUPAC name is 2-bromo-6-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-6-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
PubChem CID114883138
Molecular FormulaC15H15BrFN3O
Molecular Weight352.21 g/mol
Exact Mass351.04
IUPAC Name2-bromo-6-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
SMILESCN(Cc1ccccc1F)c1cccc(Br)c1/C(N)=N/O
InChIInChI=1S/C15H15BrFN3O/c1-20(9-10-5-2-3-7-12(10)17)13-8-4-6-11(16)14(13)15(18)19-21/h2-8,21H,9H2,1H3,(H2,18,19)
InChIKeyUPDRHOWUHKIUIN-UHFFFAOYSA-N
XLogP3.32
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 53.32
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-bromo-N'-hydroxy-6-[methyl-[(2-methylphenyl)methyl]amino]benzenecarboximidamide
CID 114883137
2-(aminomethyl)-3-bromo-N-[(2-fluorophenyl)methyl]-N-methylaniline
CID 114879482
4-chloro-2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 76984880
2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide
CID 76873732
2-bromo-6-[cyclobutylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 114883247
2-bromo-N'-hydroxy-6-[3-methoxypropyl(methyl)amino]benzenecarboximidamide
CID 114883251
2-[(2-bromophenyl)methyl-methylamino]-4-chloro-N'-hydroxybenzenecarboximidamide
CID 76984935
[2-[(2-fluorophenyl)methyl-methylamino]phenyl]methanol
CID 61412891
5-bromo-2-[(2-fluorophenyl)methyl-methylamino]benzenecarboximidamide
CID 114892900
3-bromo-4-[(2-fluorophenyl)methyl-methylamino]benzenecarboximidamide
CID 82799105
2-bromo-6-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 115678174
2-(1-aminoethyl)-N-[(2-bromophenyl)methyl]-3-fluoro-N-methylaniline
CID 61416480

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-bromo-6-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide (CID 114883138) is 2-bromo-6-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-bromo-6-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-bromo-6-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide is CN(Cc1ccccc1F)c1cccc(Br)c1/C(N)=N/O.
What is the InChIKey of 2-bromo-6-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide?
The InChIKey is UPDRHOWUHKIUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN3O/c1-20(9-10-5-2-3-7-12(10)17)13-8-4-6-11(16)14(13)15(18)19-21/h2-8,21H,9H2,1H3,(H2,18,19).
What are the key properties of 2-bromo-6-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide?
2-bromo-6-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide has a molecular weight of 352.21 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 114883138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).