2,2-dichloro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide

C14H15Cl2FN2O2 — CID 108566898

IUPAC2,2-dichloro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
SMILESO=C(NC1CCN(C(=O)c2cccc(F)c2)CC1)C(Cl)Cl
InChIInChI=1S/C14H15Cl2FN2O2/c15-12(16)13(20)18-11-4-6-19(7-5-11)14(21)9-2-1-3-10(17)8-9/h1-3,8,11-12H,4-7H2,(H,18,20)
InChIKeyMBSRELJIFZFYAP-UHFFFAOYSA-N
MW333.19 g/mol
LogP2.35
Rot. Bonds3

About 2,2-dichloro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide

2,2-dichloro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide (PubChem CID 108566898) has the molecular formula C14H15Cl2FN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is 2,2-dichloro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
PubChem CID108566898
Molecular FormulaC14H15Cl2FN2O2
Molecular Weight333.19 g/mol
Exact Mass332.05
IUPAC Name2,2-dichloro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
SMILESO=C(NC1CCN(C(=O)c2cccc(F)c2)CC1)C(Cl)Cl
InChIInChI=1S/C14H15Cl2FN2O2/c15-12(16)13(20)18-11-4-6-19(7-5-11)14(21)9-2-1-3-10(17)8-9/h1-3,8,11-12H,4-7H2,(H,18,20)
InChIKeyMBSRELJIFZFYAP-UHFFFAOYSA-N
XLogP2.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 52.35
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-(3-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108566907
N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 49348900
2,2,2-trifluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 108548760
N-[1-(3-fluorobenzoyl)piperidin-4-yl]propanamide
CID 110820378
2-chloro-6-fluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]benzamide
CID 108558699
2,2-dichloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]acetamide
CID 108567322
N-[1-(3-fluorobenzoyl)piperidin-4-yl]pentanamide
CID 110820382
N-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide
CID 95051605
N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide
CID 95051606
N-[2-(cyclopropylamino)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 46019160
N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2,2-dichloroacetamide
CID 108566835
1-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-3-methylurea
CID 95051713

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide?
The IUPAC name of 2,2-dichloro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide (CID 108566898) is 2,2-dichloro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2,2-dichloro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2,2-dichloro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide is O=C(NC1CCN(C(=O)c2cccc(F)c2)CC1)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide?
The InChIKey is MBSRELJIFZFYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2FN2O2/c15-12(16)13(20)18-11-4-6-19(7-5-11)14(21)9-2-1-3-10(17)8-9/h1-3,8,11-12H,4-7H2,(H,18,20).
What are the key properties of 2,2-dichloro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide?
2,2-dichloro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide has a molecular weight of 333.19 g/mol, XLogP of 2.35, 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-(3-fluorobenzoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 108566898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).