1-(2-bromo-5-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide

C13H15BrFN3O2 — CID 77041668

IUPAC1-(2-bromo-5-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
SMILESNC(=NO)C1CCCCN1C(=O)c1cc(F)ccc1Br
InChIInChI=1S/C13H15BrFN3O2/c14-10-5-4-8(15)7-9(10)13(19)18-6-2-1-3-11(18)12(16)17-20/h4-5,7,11,20H,1-3,6H2,(H2,16,17)
InChIKeySKCGUUUZQLKPRM-UHFFFAOYSA-N
MW344.18 g/mol
LogP2.33
Rot. Bonds2

About 1-(2-bromo-5-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide

1-(2-bromo-5-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide (PubChem CID 77041668) has the molecular formula C13H15BrFN3O2 and a molecular weight of 344.18 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide.

Molecular Properties

Compound Name1-(2-bromo-5-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
PubChem CID77041668
Molecular FormulaC13H15BrFN3O2
Molecular Weight344.18 g/mol
Exact Mass343.03
IUPAC Name1-(2-bromo-5-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
SMILESNC(=NO)C1CCCCN1C(=O)c1cc(F)ccc1Br
InChIInChI=1S/C13H15BrFN3O2/c14-10-5-4-8(15)7-9(10)13(19)18-6-2-1-3-11(18)12(16)17-20/h4-5,7,11,20H,1-3,6H2,(H2,16,17)
InChIKeySKCGUUUZQLKPRM-UHFFFAOYSA-N
XLogP2.33
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.18
LogP ≤ 52.33
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

1-(2,5-dibromobenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 114375250
1-(2-bromo-5-fluorobenzoyl)azepane-2-carboxylic acid
CID 64559146
1-(2-bromobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77041349
2-[(2R)-1-(2-bromo-5-fluorobenzoyl)piperidin-2-yl]acetamide
CID 95309748
1-(4-fluoro-2-hydroxybenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 107016253
(2-bromo-5-fluorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421295
1-(5-bromo-2-hydroxybenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 107730090
1-(4-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77041508
1-(4-bromo-3-chlorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 81307263
(2R,3R)-1-(2-bromo-5-fluorobenzoyl)-2-methylpiperidine-3-carboxylic acid
CID 122115089
(2-bromo-5-fluorophenyl)-pyrrolidin-1-ylmethanone
CID 24709222
(2-bromo-5-fluorophenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62888810

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide?
The IUPAC name of 1-(2-bromo-5-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide (CID 77041668) is 1-(2-bromo-5-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide.
What is the SMILES notation for 1-(2-bromo-5-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide?
The canonical SMILES for 1-(2-bromo-5-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide is NC(=NO)C1CCCCN1C(=O)c1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide?
The InChIKey is SKCGUUUZQLKPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFN3O2/c14-10-5-4-8(15)7-9(10)13(19)18-6-2-1-3-11(18)12(16)17-20/h4-5,7,11,20H,1-3,6H2,(H2,16,17).
What are the key properties of 1-(2-bromo-5-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide?
1-(2-bromo-5-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide has a molecular weight of 344.18 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide is sourced from PubChem (CID 77041668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).