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

C22H25FN2O2 — CID 119713956

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide
SMILESO=C(CC1CC2CCC(C1)N2)Nc1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C22H25FN2O2/c23-17-6-4-15(5-7-17)14-27-21-3-1-2-18(13-21)25-22(26)12-16-10-19-8-9-20(11-16)24-19/h1-7,13,16,19-20,24H,8-12,14H2,(H,25,26)
InChIKeyKLXOBCLVSGJQST-UHFFFAOYSA-N
MW368.45 g/mol
LogP4.26
Rot. Bonds6

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

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide (PubChem CID 119713956) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide
PubChem CID119713956
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide
SMILESO=C(CC1CC2CCC(C1)N2)Nc1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C22H25FN2O2/c23-17-6-4-15(5-7-17)14-27-21-3-1-2-18(13-21)25-22(26)12-16-10-19-8-9-20(11-16)24-19/h1-7,13,16,19-20,24H,8-12,14H2,(H,25,26)
InChIKeyKLXOBCLVSGJQST-UHFFFAOYSA-N
XLogP4.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-[3-(2-methoxyethoxy)phenyl]acetamide;hydrochloride
CID 119723472
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]acetamide;hydrochloride
CID 119712202
N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 79610778
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(ethylaminomethyl)phenyl]acetamide
CID 122080255
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(3-methoxyphenyl)benzamide
CID 119680059
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]benzamide;hydrochloride
CID 119687681
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(methylcarbamoylamino)phenyl]acetamide
CID 119702054
N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride
CID 119673318
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(cyclohexyloxymethyl)phenyl]acetamide;hydrochloride
CID 119753882
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3,4,5-trifluorophenyl)acetamide;hydrochloride
CID 119708006
N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]benzamide
CID 119709596

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide (CID 119713956) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide is O=C(CC1CC2CCC(C1)N2)Nc1cccc(OCc2ccc(F)cc2)c1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide?
The InChIKey is KLXOBCLVSGJQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c23-17-6-4-15(5-7-17)14-27-21-3-1-2-18(13-21)25-22(26)12-16-10-19-8-9-20(11-16)24-19/h1-7,13,16,19-20,24H,8-12,14H2,(H,25,26).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide has a molecular weight of 368.45 g/mol, XLogP of 4.26, 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-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide is sourced from PubChem (CID 119713956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).