2-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]-2-(2-fluoroethoxy)acetamide

C25H28ClFN2O2 — CID 142638706

IUPAC2-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]-2-(2-fluoroethoxy)acetamide
SMILESNC(=O)C(OCCF)C1CCN(CC23CC(c4ccccc42)c2ccc(Cl)cc23)CC1
InChIInChI=1S/C25H28ClFN2O2/c26-17-5-6-19-20-14-25(22(19)13-17,21-4-2-1-3-18(20)21)15-29-10-7-16(8-11-29)23(24(28)30)31-12-9-27/h1-6,13,16,20,23H,7-12,14-15H2,(H2,28,30)
InChIKeyGUQAEMJFOIQEJG-UHFFFAOYSA-N
MW442.96 g/mol
LogP4.03
Rot. Bonds7

About 2-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]-2-(2-fluoroethoxy)acetamide

2-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]-2-(2-fluoroethoxy)acetamide (PubChem CID 142638706) has the molecular formula C25H28ClFN2O2 and a molecular weight of 442.96 g/mol. Its IUPAC name is 2-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]-2-(2-fluoroethoxy)acetamide.

Molecular Properties

Compound Name2-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]-2-(2-fluoroethoxy)acetamide
PubChem CID142638706
Molecular FormulaC25H28ClFN2O2
Molecular Weight442.96 g/mol
Exact Mass442.18
IUPAC Name2-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]-2-(2-fluoroethoxy)acetamide
SMILESNC(=O)C(OCCF)C1CCN(CC23CC(c4ccccc42)c2ccc(Cl)cc23)CC1
InChIInChI=1S/C25H28ClFN2O2/c26-17-5-6-19-20-14-25(22(19)13-17,21-4-2-1-3-18(20)21)15-29-10-7-16(8-11-29)23(24(28)30)31-12-9-27/h1-6,13,16,20,23H,7-12,14-15H2,(H2,28,30)
InChIKeyGUQAEMJFOIQEJG-UHFFFAOYSA-N
XLogP4.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.96
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]-2-(2-fluoroethoxy)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]-2-(2-fluoroethoxy)acetamide?
The IUPAC name of 2-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]-2-(2-fluoroethoxy)acetamide (CID 142638706) is 2-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]-2-(2-fluoroethoxy)acetamide.
What is the SMILES notation for 2-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]-2-(2-fluoroethoxy)acetamide?
The canonical SMILES for 2-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]-2-(2-fluoroethoxy)acetamide is NC(=O)C(OCCF)C1CCN(CC23CC(c4ccccc42)c2ccc(Cl)cc23)CC1.
What is the InChIKey of 2-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]-2-(2-fluoroethoxy)acetamide?
The InChIKey is GUQAEMJFOIQEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClFN2O2/c26-17-5-6-19-20-14-25(22(19)13-17,21-4-2-1-3-18(20)21)15-29-10-7-16(8-11-29)23(24(28)30)31-12-9-27/h1-6,13,16,20,23H,7-12,14-15H2,(H2,28,30).
What are the key properties of 2-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]-2-(2-fluoroethoxy)acetamide?
2-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]-2-(2-fluoroethoxy)acetamide has a molecular weight of 442.96 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]-2-(2-fluoroethoxy)acetamide is sourced from PubChem (CID 142638706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).