1-(4-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide

C13H15ClFN3O2 — CID 77041508

IUPAC1-(4-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
SMILESNC(=NO)C1CCCCN1C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C13H15ClFN3O2/c14-8-4-5-9(10(15)7-8)13(19)18-6-2-1-3-11(18)12(16)17-20/h4-5,7,11,20H,1-3,6H2,(H2,16,17)
InChIKeyPOBDZFWICYSREP-UHFFFAOYSA-N
MW299.73 g/mol
LogP2.22
Rot. Bonds2

About 1-(4-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide

1-(4-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide (PubChem CID 77041508) has the molecular formula C13H15ClFN3O2 and a molecular weight of 299.73 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide.

Molecular Properties

Compound Name1-(4-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
PubChem CID77041508
Molecular FormulaC13H15ClFN3O2
Molecular Weight299.73 g/mol
Exact Mass299.08
IUPAC Name1-(4-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
SMILESNC(=NO)C1CCCCN1C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C13H15ClFN3O2/c14-8-4-5-9(10(15)7-8)13(19)18-6-2-1-3-11(18)12(16)17-20/h4-5,7,11,20H,1-3,6H2,(H2,16,17)
InChIKeyPOBDZFWICYSREP-UHFFFAOYSA-N
XLogP2.22
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.73
LogP ≤ 52.22
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

ethyl 1-(4-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 75925808
1-(2-bromo-5-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77041668
1-(4-fluoro-2-hydroxybenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 107016253
1-(4-chloro-2-hydroxybenzoyl)piperidine-2-carboxamide
CID 54943176
[2-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119631398
1-(3-chloro-4-methylbenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77041974
1-(2-bromobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77041349
(2R)-1-(4-amino-2-fluorobenzoyl)piperidine-2-carboxylic acid
CID 103871055
1-(5-bromo-2-hydroxybenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 107730090
1-(4-chloro-2-fluorobenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 42948700
3-amino-N-[[1-(4-chloro-2-fluorobenzoyl)piperidin-2-yl]methyl]propanamide
CID 120580015
1-(2-fluoro-4-hydroxybenzoyl)pyrrolidine-2-carbothioamide
CID 107676100

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide?
The IUPAC name of 1-(4-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide (CID 77041508) is 1-(4-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide.
What is the SMILES notation for 1-(4-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide?
The canonical SMILES for 1-(4-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide is NC(=NO)C1CCCCN1C(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide?
The InChIKey is POBDZFWICYSREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3O2/c14-8-4-5-9(10(15)7-8)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-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide?
1-(4-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide has a molecular weight of 299.73 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide is sourced from PubChem (CID 77041508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).