N'-(4-chloro-3-fluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide

C17H23ClFN3O2 — CID 46186917

IUPACN'-(4-chloro-3-fluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
SMILESCC1(C)CC(NC(=O)C(=O)Nc2ccc(Cl)c(F)c2)CC(C)(C)N1
InChIInChI=1S/C17H23ClFN3O2/c1-16(2)8-11(9-17(3,4)22-16)21-15(24)14(23)20-10-5-6-12(18)13(19)7-10/h5-7,11,22H,8-9H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyWNIRIUAQGASKHI-UHFFFAOYSA-N
MW355.84 g/mol
LogP2.84
Rot. Bonds2

About N'-(4-chloro-3-fluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide

N'-(4-chloro-3-fluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide (PubChem CID 46186917) has the molecular formula C17H23ClFN3O2 and a molecular weight of 355.84 g/mol. Its IUPAC name is N'-(4-chloro-3-fluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide.

Molecular Properties

Compound NameN'-(4-chloro-3-fluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
PubChem CID46186917
Molecular FormulaC17H23ClFN3O2
Molecular Weight355.84 g/mol
Exact Mass355.15
IUPAC NameN'-(4-chloro-3-fluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
SMILESCC1(C)CC(NC(=O)C(=O)Nc2ccc(Cl)c(F)c2)CC(C)(C)N1
InChIInChI=1S/C17H23ClFN3O2/c1-16(2)8-11(9-17(3,4)22-16)21-15(24)14(23)20-10-5-6-12(18)13(19)7-10/h5-7,11,22H,8-9H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyWNIRIUAQGASKHI-UHFFFAOYSA-N
XLogP2.84
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.84
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-3-fluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The IUPAC name of N'-(4-chloro-3-fluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide (CID 46186917) is N'-(4-chloro-3-fluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide.
What is the SMILES notation for N'-(4-chloro-3-fluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The canonical SMILES for N'-(4-chloro-3-fluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide is CC1(C)CC(NC(=O)C(=O)Nc2ccc(Cl)c(F)c2)CC(C)(C)N1.
What is the InChIKey of N'-(4-chloro-3-fluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The InChIKey is WNIRIUAQGASKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClFN3O2/c1-16(2)8-11(9-17(3,4)22-16)21-15(24)14(23)20-10-5-6-12(18)13(19)7-10/h5-7,11,22H,8-9H2,1-4H3,(H,20,23)(H,21,24).
What are the key properties of N'-(4-chloro-3-fluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
N'-(4-chloro-3-fluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide has a molecular weight of 355.84 g/mol, XLogP of 2.84, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-3-fluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide is sourced from PubChem (CID 46186917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).