2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-ethoxy-4-fluorophenyl)acetamide

C17H23FN2O2 — CID 119718548

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-ethoxy-4-fluorophenyl)acetamide
SMILESCCOc1cc(F)ccc1NC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C17H23FN2O2/c1-2-22-16-10-12(18)3-6-15(16)20-17(21)9-11-7-13-4-5-14(8-11)19-13/h3,6,10-11,13-14,19H,2,4-5,7-9H2,1H3,(H,20,21)
InChIKeyHFPDUKPFHADSCB-UHFFFAOYSA-N
MW306.38 g/mol
LogP3.08
Rot. Bonds5

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

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-ethoxy-4-fluorophenyl)acetamide (PubChem CID 119718548) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-ethoxy-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-ethoxy-4-fluorophenyl)acetamide
PubChem CID119718548
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-ethoxy-4-fluorophenyl)acetamide
SMILESCCOc1cc(F)ccc1NC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C17H23FN2O2/c1-2-22-16-10-12(18)3-6-15(16)20-17(21)9-11-7-13-4-5-14(8-11)19-13/h3,6,10-11,13-14,19H,2,4-5,7-9H2,1H3,(H,20,21)
InChIKeyHFPDUKPFHADSCB-UHFFFAOYSA-N
XLogP3.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]acetamide
CID 119800663
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-fluoro-2-propoxyphenyl)acetamide
CID 119815179
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-fluoro-2-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119770221
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride
CID 119856692
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-ethoxy-3-methoxyphenyl)acetamide
CID 119688395
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-chloro-4-ethoxyphenyl)acetamide
CID 119715566
2-(4-aminopiperidin-1-yl)-N-(2-ethoxy-4-fluorophenyl)acetamide
CID 79322871
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-difluoro-4-methoxyphenyl)acetamide
CID 119812874
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-butoxy-2-methylphenyl)acetamide
CID 119739420
N-(2-ethoxy-4-fluorophenyl)-4-ethylpiperidine-2-carboxamide
CID 114428305
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-hydroxy-2-methylphenyl)acetamide
CID 79614826
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethoxyphenyl)acetamide;hydrochloride
CID 119674276

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-ethoxy-4-fluorophenyl)acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-ethoxy-4-fluorophenyl)acetamide (CID 119718548) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-ethoxy-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-ethoxy-4-fluorophenyl)acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-ethoxy-4-fluorophenyl)acetamide is CCOc1cc(F)ccc1NC(=O)CC1CC2CCC(C1)N2.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-ethoxy-4-fluorophenyl)acetamide?
The InChIKey is HFPDUKPFHADSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-2-22-16-10-12(18)3-6-15(16)20-17(21)9-11-7-13-4-5-14(8-11)19-13/h3,6,10-11,13-14,19H,2,4-5,7-9H2,1H3,(H,20,21).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-ethoxy-4-fluorophenyl)acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-ethoxy-4-fluorophenyl)acetamide has a molecular weight of 306.38 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-ethoxy-4-fluorophenyl)acetamide is sourced from PubChem (CID 119718548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).