2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-fluoro-2-propoxyphenyl)acetamide

C18H25FN2O2 — CID 119815179

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-fluoro-2-propoxyphenyl)acetamide
SMILESCCCOc1cc(F)ccc1NC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C18H25FN2O2/c1-2-7-23-17-11-13(19)3-6-16(17)21-18(22)10-12-8-14-4-5-15(9-12)20-14/h3,6,11-12,14-15,20H,2,4-5,7-10H2,1H3,(H,21,22)
InChIKeyKQIFVFJQPLFXDD-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.47
Rot. Bonds6

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

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-fluoro-2-propoxyphenyl)acetamide (PubChem CID 119815179) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-fluoro-2-propoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-fluoro-2-propoxyphenyl)acetamide
PubChem CID119815179
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-fluoro-2-propoxyphenyl)acetamide
SMILESCCCOc1cc(F)ccc1NC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C18H25FN2O2/c1-2-7-23-17-11-13(19)3-6-16(17)21-18(22)10-12-8-14-4-5-15(9-12)20-14/h3,6,11-12,14-15,20H,2,4-5,7-10H2,1H3,(H,21,22)
InChIKeyKQIFVFJQPLFXDD-UHFFFAOYSA-N
XLogP3.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.47
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-ethoxy-4-fluorophenyl)acetamide
CID 119718548
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-(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-butoxy-2-methylphenyl)acetamide
CID 119739420
N-(4-fluoro-2-propoxyphenyl)-2-thiomorpholin-3-ylacetamide
CID 119940311
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-(3-butoxyphenyl)acetamide
CID 119745749
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-(5-bromo-2-fluorophenyl)acetamide
CID 79607339
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethoxyphenyl)acetamide;hydrochloride
CID 119674276
9-amino-N-(4-fluoro-2-propoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120992611

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-fluoro-2-propoxyphenyl)acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-fluoro-2-propoxyphenyl)acetamide (CID 119815179) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-fluoro-2-propoxyphenyl)acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-fluoro-2-propoxyphenyl)acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-fluoro-2-propoxyphenyl)acetamide is CCCOc1cc(F)ccc1NC(=O)CC1CC2CCC(C1)N2.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-fluoro-2-propoxyphenyl)acetamide?
The InChIKey is KQIFVFJQPLFXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-2-7-23-17-11-13(19)3-6-16(17)21-18(22)10-12-8-14-4-5-15(9-12)20-14/h3,6,11-12,14-15,20H,2,4-5,7-10H2,1H3,(H,21,22).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-fluoro-2-propoxyphenyl)acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-fluoro-2-propoxyphenyl)acetamide has a molecular weight of 320.41 g/mol, XLogP of 3.47, 6 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-(4-fluoro-2-propoxyphenyl)acetamide is sourced from PubChem (CID 119815179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).