2-(3,4-dichlorophenyl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]acetamide

C15H18Cl2F2N2O — CID 49074781

IUPAC2-(3,4-dichlorophenyl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)NC1CCN(CC(F)F)CC1
InChIInChI=1S/C15H18Cl2F2N2O/c16-12-2-1-10(7-13(12)17)8-15(22)20-11-3-5-21(6-4-11)9-14(18)19/h1-2,7,11,14H,3-6,8-9H2,(H,20,22)
InChIKeyAMUIXHHIKMILHT-UHFFFAOYSA-N
MW351.22 g/mol
LogP3.38
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]acetamide

2-(3,4-dichlorophenyl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]acetamide (PubChem CID 49074781) has the molecular formula C15H18Cl2F2N2O and a molecular weight of 351.22 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]acetamide
PubChem CID49074781
Molecular FormulaC15H18Cl2F2N2O
Molecular Weight351.22 g/mol
Exact Mass350.08
IUPAC Name2-(3,4-dichlorophenyl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)NC1CCN(CC(F)F)CC1
InChIInChI=1S/C15H18Cl2F2N2O/c16-12-2-1-10(7-13(12)17)8-15(22)20-11-3-5-21(6-4-11)9-14(18)19/h1-2,7,11,14H,3-6,8-9H2,(H,20,22)
InChIKeyAMUIXHHIKMILHT-UHFFFAOYSA-N
XLogP3.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,4-dichlorophenyl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]acetamide (CID 49074781) is 2-(3,4-dichlorophenyl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]acetamide is O=C(Cc1ccc(Cl)c(Cl)c1)NC1CCN(CC(F)F)CC1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]acetamide?
The InChIKey is AMUIXHHIKMILHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2F2N2O/c16-12-2-1-10(7-13(12)17)8-15(22)20-11-3-5-21(6-4-11)9-14(18)19/h1-2,7,11,14H,3-6,8-9H2,(H,20,22).
What are the key properties of 2-(3,4-dichlorophenyl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]acetamide?
2-(3,4-dichlorophenyl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]acetamide has a molecular weight of 351.22 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 49074781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).