N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chloro-4-fluorophenoxy)acetamide

C15H18ClFN2O2 — CID 119455158

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chloro-4-fluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)cc1Cl)NC1CC2CCC(C1)N2
InChIInChI=1S/C15H18ClFN2O2/c16-13-5-9(17)1-4-14(13)21-8-15(20)19-12-6-10-2-3-11(7-12)18-10/h1,4-5,10-12,18H,2-3,6-8H2,(H,19,20)
InChIKeySEQDYAZUNMOCPZ-UHFFFAOYSA-N
MW312.77 g/mol
LogP2.26
Rot. Bonds4

About N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chloro-4-fluorophenoxy)acetamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chloro-4-fluorophenoxy)acetamide (PubChem CID 119455158) has the molecular formula C15H18ClFN2O2 and a molecular weight of 312.77 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chloro-4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chloro-4-fluorophenoxy)acetamide
PubChem CID119455158
Molecular FormulaC15H18ClFN2O2
Molecular Weight312.77 g/mol
Exact Mass312.10
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chloro-4-fluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)cc1Cl)NC1CC2CCC(C1)N2
InChIInChI=1S/C15H18ClFN2O2/c16-13-5-9(17)1-4-14(13)21-8-15(20)19-12-6-10-2-3-11(7-12)18-10/h1,4-5,10-12,18H,2-3,6-8H2,(H,19,20)
InChIKeySEQDYAZUNMOCPZ-UHFFFAOYSA-N
XLogP2.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.77
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride
CID 119456429
2-(2-chloro-4-fluorophenoxy)-N-(3-methylcyclopentyl)acetamide
CID 114550159
2-(2-chloro-4-fluorophenoxy)-N-(2-methylpiperidin-4-yl)acetamide
CID 120602502
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-bromo-2-fluorophenoxy)acetamide;hydrochloride
CID 119457993
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-fluorophenyl)acetamide
CID 21132354
2-(2-chloro-4-fluorophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
CID 114631346
2-(2-chloro-4-fluorophenoxy)-N-[2-(hydroxymethyl)cyclopentyl]acetamide
CID 103774298
2-(2-chloro-4-fluorophenoxy)-N-(3-methylpiperidin-4-yl)acetamide
CID 120557960
N-(1-benzylpiperidin-4-yl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 17250306
N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 9428452
2-(2-chloro-4-fluorophenoxy)acetohydrazide
CID 3818760
2-(2-chloro-4-fluorophenoxy)-1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone
CID 119634926

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chloro-4-fluorophenoxy)acetamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chloro-4-fluorophenoxy)acetamide (CID 119455158) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chloro-4-fluorophenoxy)acetamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chloro-4-fluorophenoxy)acetamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chloro-4-fluorophenoxy)acetamide is O=C(COc1ccc(F)cc1Cl)NC1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chloro-4-fluorophenoxy)acetamide?
The InChIKey is SEQDYAZUNMOCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2O2/c16-13-5-9(17)1-4-14(13)21-8-15(20)19-12-6-10-2-3-11(7-12)18-10/h1,4-5,10-12,18H,2-3,6-8H2,(H,19,20).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chloro-4-fluorophenoxy)acetamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chloro-4-fluorophenoxy)acetamide has a molecular weight of 312.77 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chloro-4-fluorophenoxy)acetamide is sourced from PubChem (CID 119455158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).