1-(4-chloro-2,5-difluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide

C13H14ClF2N3O2 — CID 82773087

IUPAC1-(4-chloro-2,5-difluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
SMILESN/C(=N/O)C1CCCN(C(=O)c2cc(F)c(Cl)cc2F)C1
InChIInChI=1S/C13H14ClF2N3O2/c14-9-5-10(15)8(4-11(9)16)13(20)19-3-1-2-7(6-19)12(17)18-21/h4-5,7,21H,1-3,6H2,(H2,17,18)
InChIKeyRYVKTYIYRUBZOT-UHFFFAOYSA-N
MW317.72 g/mol
LogP2.22
Rot. Bonds2

About 1-(4-chloro-2,5-difluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide

1-(4-chloro-2,5-difluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide (PubChem CID 82773087) has the molecular formula C13H14ClF2N3O2 and a molecular weight of 317.72 g/mol. Its IUPAC name is 1-(4-chloro-2,5-difluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide.

Molecular Properties

Compound Name1-(4-chloro-2,5-difluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
PubChem CID82773087
Molecular FormulaC13H14ClF2N3O2
Molecular Weight317.72 g/mol
Exact Mass317.07
IUPAC Name1-(4-chloro-2,5-difluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
SMILESN/C(=N/O)C1CCCN(C(=O)c2cc(F)c(Cl)cc2F)C1
InChIInChI=1S/C13H14ClF2N3O2/c14-9-5-10(15)8(4-11(9)16)13(20)19-3-1-2-7(6-19)12(17)18-21/h4-5,7,21H,1-3,6H2,(H2,17,18)
InChIKeyRYVKTYIYRUBZOT-UHFFFAOYSA-N
XLogP2.22
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.72
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'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-(5-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041378
(4-chloro-2,5-difluorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 82772196
(4-chloro-2,5-difluorophenyl)-pyrrolidin-1-ylmethanone
CID 82772045
1-(4-bromo-2-chlorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041998
[3-(2-aminoethyl)piperidin-1-yl]-(4-chloro-2,5-difluorophenyl)methanone
CID 82771490
1-(4-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041850
1-(3-fluoro-4-methylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041999
(3-aminopiperidin-1-yl)-(2-chloro-4,5-difluorophenyl)methanone;hydrochloride
CID 119380155
(4-chloro-2,5-difluorophenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 82772050
1-(2-bromo-5-methylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 81117704
1-(3-fluoro-4-methoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77042001
(4-chloro-2,5-difluorophenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 82771946

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-difluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide?
The IUPAC name of 1-(4-chloro-2,5-difluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide (CID 82773087) is 1-(4-chloro-2,5-difluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide.
What is the SMILES notation for 1-(4-chloro-2,5-difluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide?
The canonical SMILES for 1-(4-chloro-2,5-difluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide is N/C(=N/O)C1CCCN(C(=O)c2cc(F)c(Cl)cc2F)C1.
What is the InChIKey of 1-(4-chloro-2,5-difluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide?
The InChIKey is RYVKTYIYRUBZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF2N3O2/c14-9-5-10(15)8(4-11(9)16)13(20)19-3-1-2-7(6-19)12(17)18-21/h4-5,7,21H,1-3,6H2,(H2,17,18).
What are the key properties of 1-(4-chloro-2,5-difluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide?
1-(4-chloro-2,5-difluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide has a molecular weight of 317.72 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-2,5-difluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide is sourced from PubChem (CID 82773087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).