1-(5-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide

C13H15ClFN3O2 — CID 77041378

IUPAC1-(5-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
SMILESNC(=NO)C1CCCN(C(=O)c2cc(Cl)ccc2F)C1
InChIInChI=1S/C13H15ClFN3O2/c14-9-3-4-11(15)10(6-9)13(19)18-5-1-2-8(7-18)12(16)17-20/h3-4,6,8,20H,1-2,5,7H2,(H2,16,17)
InChIKeyUTJWDNBSRUCYGS-UHFFFAOYSA-N
MW299.73 g/mol
LogP2.08
Rot. Bonds2

About 1-(5-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide

1-(5-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide (PubChem CID 77041378) has the molecular formula C13H15ClFN3O2 and a molecular weight of 299.73 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide.

Molecular Properties

Compound Name1-(5-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
PubChem CID77041378
Molecular FormulaC13H15ClFN3O2
Molecular Weight299.73 g/mol
Exact Mass299.08
IUPAC Name1-(5-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
SMILESNC(=NO)C1CCCN(C(=O)c2cc(Cl)ccc2F)C1
InChIInChI=1S/C13H15ClFN3O2/c14-9-3-4-11(15)10(6-9)13(19)18-5-1-2-8(7-18)12(16)17-20/h3-4,6,8,20H,1-2,5,7H2,(H2,16,17)
InChIKeyUTJWDNBSRUCYGS-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
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-(4-chloro-2,5-difluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 82773087
(5-chloro-2-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 60674863
(5-chloro-2-fluorophenyl)-(3-chloropiperidin-1-yl)methanone
CID 55187226
azepan-1-yl-(5-chloro-2-fluorophenyl)methanone
CID 60675642
1-(4-bromo-2-chlorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041998
1-(4-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041850
1-(3-fluoro-4-methylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041999
(5-chloro-2-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61224266
(5-chloro-2-fluorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372699
1-(2-bromo-5-methylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 81117704
1-(3-fluoro-4-methoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77042001
1-(2-fluoro-5-methylbenzoyl)-N'-hydroxypiperidine-4-carboximidamide
CID 77038997

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide?
The IUPAC name of 1-(5-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide (CID 77041378) is 1-(5-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide.
What is the SMILES notation for 1-(5-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide?
The canonical SMILES for 1-(5-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide is NC(=NO)C1CCCN(C(=O)c2cc(Cl)ccc2F)C1.
What is the InChIKey of 1-(5-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide?
The InChIKey is UTJWDNBSRUCYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3O2/c14-9-3-4-11(15)10(6-9)13(19)18-5-1-2-8(7-18)12(16)17-20/h3-4,6,8,20H,1-2,5,7H2,(H2,16,17).
What are the key properties of 1-(5-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide?
1-(5-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide has a molecular weight of 299.73 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide is sourced from PubChem (CID 77041378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).