N-chloro-2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

C17H25ClN2O — CID 87619863

IUPACN-chloro-2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCC1(C)CC(N(Cl)C(=O)Cc2ccccc2)CC(C)(C)N1
InChIInChI=1S/C17H25ClN2O/c1-16(2)11-14(12-17(3,4)19-16)20(18)15(21)10-13-8-6-5-7-9-13/h5-9,14,19H,10-12H2,1-4H3
InChIKeyTZJUUFKSLXWZFJ-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.52
Rot. Bonds3

About N-chloro-2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

N-chloro-2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (PubChem CID 87619863) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is N-chloro-2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-chloro-2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
PubChem CID87619863
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC NameN-chloro-2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCC1(C)CC(N(Cl)C(=O)Cc2ccccc2)CC(C)(C)N1
InChIInChI=1S/C17H25ClN2O/c1-16(2)11-14(12-17(3,4)19-16)20(18)15(21)10-13-8-6-5-7-9-13/h5-9,14,19H,10-12H2,1-4H3
InChIKeyTZJUUFKSLXWZFJ-UHFFFAOYSA-N
XLogP3.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-chloro-2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The IUPAC name of N-chloro-2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (CID 87619863) is N-chloro-2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-chloro-2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The canonical SMILES for N-chloro-2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is CC1(C)CC(N(Cl)C(=O)Cc2ccccc2)CC(C)(C)N1.
What is the InChIKey of N-chloro-2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The InChIKey is TZJUUFKSLXWZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-16(2)11-14(12-17(3,4)19-16)20(18)15(21)10-13-8-6-5-7-9-13/h5-9,14,19H,10-12H2,1-4H3.
What are the key properties of N-chloro-2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
N-chloro-2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide has a molecular weight of 308.85 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 87619863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).