2,2-dichloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]acetamide

C14H14Cl3FN2O2 — CID 108567322

IUPAC2,2-dichloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]acetamide
SMILESO=C(NC1CCN(C(=O)c2c(F)cccc2Cl)CC1)C(Cl)Cl
InChIInChI=1S/C14H14Cl3FN2O2/c15-9-2-1-3-10(18)11(9)14(22)20-6-4-8(5-7-20)19-13(21)12(16)17/h1-3,8,12H,4-7H2,(H,19,21)
InChIKeyYDEKZAMSEUCYES-UHFFFAOYSA-N
MW367.64 g/mol
LogP3.00
Rot. Bonds3

About 2,2-dichloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]acetamide

2,2-dichloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]acetamide (PubChem CID 108567322) has the molecular formula C14H14Cl3FN2O2 and a molecular weight of 367.64 g/mol. Its IUPAC name is 2,2-dichloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]acetamide
PubChem CID108567322
Molecular FormulaC14H14Cl3FN2O2
Molecular Weight367.64 g/mol
Exact Mass366.01
IUPAC Name2,2-dichloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]acetamide
SMILESO=C(NC1CCN(C(=O)c2c(F)cccc2Cl)CC1)C(Cl)Cl
InChIInChI=1S/C14H14Cl3FN2O2/c15-9-2-1-3-10(18)11(9)14(22)20-6-4-8(5-7-20)19-13(21)12(16)17/h1-3,8,12H,4-7H2,(H,19,21)
InChIKeyYDEKZAMSEUCYES-UHFFFAOYSA-N
XLogP3.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.64
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108567332
2-chloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]benzamide
CID 108550866
N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]propanamide
CID 110821572
1-(2-chloro-6-fluorobenzoyl)-N-cyclohexylpiperidine-4-carboxamide
CID 113003080
N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558235
N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-2,4-difluorobenzamide
CID 108567325
2,2-dichloro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 108566898
2-chloro-6-fluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]benzamide
CID 108558699
(2-chloro-6-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749738
1-(2-chloro-6-fluorobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide
CID 113002767
N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-2-chloro-6-fluorobenzamide
CID 108558645
2-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-(trifluoromethyl)benzamide
CID 166358082

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]acetamide?
The IUPAC name of 2,2-dichloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]acetamide (CID 108567322) is 2,2-dichloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2,2-dichloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2,2-dichloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]acetamide is O=C(NC1CCN(C(=O)c2c(F)cccc2Cl)CC1)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]acetamide?
The InChIKey is YDEKZAMSEUCYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl3FN2O2/c15-9-2-1-3-10(18)11(9)14(22)20-6-4-8(5-7-20)19-13(21)12(16)17/h1-3,8,12H,4-7H2,(H,19,21).
What are the key properties of 2,2-dichloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]acetamide?
2,2-dichloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]acetamide has a molecular weight of 367.64 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 108567322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).