N-(2-chloro-4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide

C13H14ClFN2O3 — CID 47336644

IUPACN-(2-chloro-4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide
SMILESO=C(Nc1ccc(F)cc1Cl)C(=O)N1CCC(O)CC1
InChIInChI=1S/C13H14ClFN2O3/c14-10-7-8(15)1-2-11(10)16-12(19)13(20)17-5-3-9(18)4-6-17/h1-2,7,9,18H,3-6H2,(H,16,19)
InChIKeyVFKFRQFSJVXYHC-UHFFFAOYSA-N
MW300.72 g/mol
LogP1.40
Rot. Bonds1

About N-(2-chloro-4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide

N-(2-chloro-4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide (PubChem CID 47336644) has the molecular formula C13H14ClFN2O3 and a molecular weight of 300.72 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide
PubChem CID47336644
Molecular FormulaC13H14ClFN2O3
Molecular Weight300.72 g/mol
Exact Mass300.07
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide
SMILESO=C(Nc1ccc(F)cc1Cl)C(=O)N1CCC(O)CC1
InChIInChI=1S/C13H14ClFN2O3/c14-10-7-8(15)1-2-11(10)16-12(19)13(20)17-5-3-9(18)4-6-17/h1-2,7,9,18H,3-6H2,(H,16,19)
InChIKeyVFKFRQFSJVXYHC-UHFFFAOYSA-N
XLogP1.40
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.72
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(4-hydroxypiperidin-1-yl)-2-oxo-N-(2,4,5-trifluorophenyl)acetamide
CID 111104905
N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoacetamide
CID 111567096
N-(2-chloro-4-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223020
N-(2,3-difluorophenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide
CID 47457467
N-(2,4-difluorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 47109120
N-(2-chloro-4-fluorophenyl)-2-(2,3-dimethylmorpholin-4-yl)-2-oxoacetamide
CID 119044042
N-(2,4-dichlorophenyl)-2-oxo-2-piperidin-1-ylacetamide
CID 2194372
2-(2-chloro-4-fluorophenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 39389860
N-(2-chloro-4-methylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 111117390
(2-chloro-4-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916558
N-(2-tert-butylphenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide
CID 110901558
2-[1-[(2-chloro-4-fluorophenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62691149

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide (CID 47336644) is N-(2-chloro-4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide is O=C(Nc1ccc(F)cc1Cl)C(=O)N1CCC(O)CC1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide?
The InChIKey is VFKFRQFSJVXYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2O3/c14-10-7-8(15)1-2-11(10)16-12(19)13(20)17-5-3-9(18)4-6-17/h1-2,7,9,18H,3-6H2,(H,16,19).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide?
N-(2-chloro-4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide has a molecular weight of 300.72 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 47336644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).