1-(4-bromo-3-chlorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide

C13H15BrClN3O2 — CID 81307263

IUPAC1-(4-bromo-3-chlorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
SMILESN/C(=N/O)C1CCCCN1C(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H15BrClN3O2/c14-9-5-4-8(7-10(9)15)13(19)18-6-2-1-3-11(18)12(16)17-20/h4-5,7,11,20H,1-3,6H2,(H2,16,17)
InChIKeyALSMGKWMLTYPPO-UHFFFAOYSA-N
MW360.64 g/mol
LogP2.84
Rot. Bonds2

About 1-(4-bromo-3-chlorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide

1-(4-bromo-3-chlorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide (PubChem CID 81307263) has the molecular formula C13H15BrClN3O2 and a molecular weight of 360.64 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide.

Molecular Properties

Compound Name1-(4-bromo-3-chlorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
PubChem CID81307263
Molecular FormulaC13H15BrClN3O2
Molecular Weight360.64 g/mol
Exact Mass359.00
IUPAC Name1-(4-bromo-3-chlorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
SMILESN/C(=N/O)C1CCCCN1C(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H15BrClN3O2/c14-9-5-4-8(7-10(9)15)13(19)18-6-2-1-3-11(18)12(16)17-20/h4-5,7,11,20H,1-3,6H2,(H2,16,17)
InChIKeyALSMGKWMLTYPPO-UHFFFAOYSA-N
XLogP2.84
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.64
LogP ≤ 52.84
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-(3-chloro-4-methylbenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77041974
1-(3-chloro-4-iodobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 103211616
1-(4-bromo-3-chlorobenzoyl)azepane-2-carboxylic acid
CID 81290541
1-(3-bromo-4-methoxybenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77041871
(4-bromo-3-chlorophenyl)-[2-(bromomethyl)azepan-1-yl]methanone
CID 116639514
1-(4-bromo-3-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 80979299
1-(2-bromo-5-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77041668
1-(2-bromobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77041349
1-(2,5-dibromobenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 114375250
1-(5-bromo-2-hydroxybenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 107730090
1-(4-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77041508
1-(3-chloro-4-iodobenzoyl)piperidine-2-carbothioamide
CID 103220798

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide?
The IUPAC name of 1-(4-bromo-3-chlorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide (CID 81307263) is 1-(4-bromo-3-chlorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide.
What is the SMILES notation for 1-(4-bromo-3-chlorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide?
The canonical SMILES for 1-(4-bromo-3-chlorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide is N/C(=N/O)C1CCCCN1C(=O)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-(4-bromo-3-chlorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide?
The InChIKey is ALSMGKWMLTYPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClN3O2/c14-9-5-4-8(7-10(9)15)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-(4-bromo-3-chlorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide?
1-(4-bromo-3-chlorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide has a molecular weight of 360.64 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide is sourced from PubChem (CID 81307263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).