4-tert-butyl-N-[1-(2,2-dichloroacetyl)piperidin-4-yl]benzamide

C18H24Cl2N2O2 — CID 108561404

IUPAC4-tert-butyl-N-[1-(2,2-dichloroacetyl)piperidin-4-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NC2CCN(C(=O)C(Cl)Cl)CC2)cc1
InChIInChI=1S/C18H24Cl2N2O2/c1-18(2,3)13-6-4-12(5-7-13)16(23)21-14-8-10-22(11-9-14)17(24)15(19)20/h4-7,14-15H,8-11H2,1-3H3,(H,21,23)
InChIKeyXVHABBYIMBUTKG-UHFFFAOYSA-N
MW371.31 g/mol
LogP3.51
Rot. Bonds3

About 4-tert-butyl-N-[1-(2,2-dichloroacetyl)piperidin-4-yl]benzamide

4-tert-butyl-N-[1-(2,2-dichloroacetyl)piperidin-4-yl]benzamide (PubChem CID 108561404) has the molecular formula C18H24Cl2N2O2 and a molecular weight of 371.31 g/mol. Its IUPAC name is 4-tert-butyl-N-[1-(2,2-dichloroacetyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[1-(2,2-dichloroacetyl)piperidin-4-yl]benzamide
PubChem CID108561404
Molecular FormulaC18H24Cl2N2O2
Molecular Weight371.31 g/mol
Exact Mass370.12
IUPAC Name4-tert-butyl-N-[1-(2,2-dichloroacetyl)piperidin-4-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NC2CCN(C(=O)C(Cl)Cl)CC2)cc1
InChIInChI=1S/C18H24Cl2N2O2/c1-18(2,3)13-6-4-12(5-7-13)16(23)21-14-8-10-22(11-9-14)17(24)15(19)20/h4-7,14-15H,8-11H2,1-3H3,(H,21,23)
InChIKeyXVHABBYIMBUTKG-UHFFFAOYSA-N
XLogP3.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-N-[1-(2,2-dichloroacetyl)piperidin-4-yl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-[(4-tert-butylbenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822345
4-tert-butyl-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]benzamide
CID 108561415
4-bromo-N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]benzamide
CID 108550518
4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542302
4-tert-butyl-N-[3-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-oxopropyl]benzamide
CID 32541124
4-tert-butyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide
CID 108554160
4-tert-butyl-N-(4-oxocyclohexyl)benzamide
CID 43652861
N-[1-(2-chloropropanoyl)piperidin-4-yl]pyridine-4-carboxamide
CID 108562448
4-bromo-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542222
4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 108554177
4-tert-butyl-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108554173
4-[(4-tert-butylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119229777

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[1-(2,2-dichloroacetyl)piperidin-4-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[1-(2,2-dichloroacetyl)piperidin-4-yl]benzamide (CID 108561404) is 4-tert-butyl-N-[1-(2,2-dichloroacetyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[1-(2,2-dichloroacetyl)piperidin-4-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[1-(2,2-dichloroacetyl)piperidin-4-yl]benzamide is CC(C)(C)c1ccc(C(=O)NC2CCN(C(=O)C(Cl)Cl)CC2)cc1.
What is the InChIKey of 4-tert-butyl-N-[1-(2,2-dichloroacetyl)piperidin-4-yl]benzamide?
The InChIKey is XVHABBYIMBUTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2N2O2/c1-18(2,3)13-6-4-12(5-7-13)16(23)21-14-8-10-22(11-9-14)17(24)15(19)20/h4-7,14-15H,8-11H2,1-3H3,(H,21,23).
What are the key properties of 4-tert-butyl-N-[1-(2,2-dichloroacetyl)piperidin-4-yl]benzamide?
4-tert-butyl-N-[1-(2,2-dichloroacetyl)piperidin-4-yl]benzamide has a molecular weight of 371.31 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[1-(2,2-dichloroacetyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 108561404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).