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

C19H25FN2O2 — CID 119800663

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]acetamide
SMILESO=C(CC1CC2CCC(C1)N2)Nc1ccc(F)cc1OCC1CC1
InChIInChI=1S/C19H25FN2O2/c20-14-3-6-17(18(10-14)24-11-12-1-2-12)22-19(23)9-13-7-15-4-5-16(8-13)21-15/h3,6,10,12-13,15-16,21H,1-2,4-5,7-9,11H2,(H,22,23)
InChIKeyGVMUJTYCBMKDAL-UHFFFAOYSA-N
MW332.42 g/mol
LogP3.47
Rot. Bonds6

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

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]acetamide (PubChem CID 119800663) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]acetamide
PubChem CID119800663
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]acetamide
SMILESO=C(CC1CC2CCC(C1)N2)Nc1ccc(F)cc1OCC1CC1
InChIInChI=1S/C19H25FN2O2/c20-14-3-6-17(18(10-14)24-11-12-1-2-12)22-19(23)9-13-7-15-4-5-16(8-13)21-15/h3,6,10,12-13,15-16,21H,1-2,4-5,7-9,11H2,(H,22,23)
InChIKeyGVMUJTYCBMKDAL-UHFFFAOYSA-N
XLogP3.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
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-(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-(5-bromo-2-fluorophenyl)acetamide
CID 79607339
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-[2-(oxan-2-ylmethoxy)phenyl]acetamide;hydrochloride
CID 119747615
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-bromo-2,3-dichlorophenyl)acetamide
CID 107790306
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(1-phenylethoxy)phenyl]acetamide;hydrochloride
CID 119792508
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide
CID 119713956
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-(cyclopropylmethoxy)-4-fluorophenyl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]acetamide (CID 119800663) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]acetamide is O=C(CC1CC2CCC(C1)N2)Nc1ccc(F)cc1OCC1CC1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]acetamide?
The InChIKey is GVMUJTYCBMKDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O2/c20-14-3-6-17(18(10-14)24-11-12-1-2-12)22-19(23)9-13-7-15-4-5-16(8-13)21-15/h3,6,10,12-13,15-16,21H,1-2,4-5,7-9,11H2,(H,22,23).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]acetamide has a molecular weight of 332.42 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-[2-(cyclopropylmethoxy)-4-fluorophenyl]acetamide is sourced from PubChem (CID 119800663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).