N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide

C21H23FN2O — CID 3217171

IUPACN-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide
SMILESO=C(NC1CC2CCC(C1)N2Cc1ccccc1)c1cccc(F)c1
InChIInChI=1S/C21H23FN2O/c22-17-8-4-7-16(11-17)21(25)23-18-12-19-9-10-20(13-18)24(19)14-15-5-2-1-3-6-15/h1-8,11,18-20H,9-10,12-14H2,(H,23,25)
InChIKeyPKYQDHABCZQNOI-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.75
Rot. Bonds4

About N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide

N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide (PubChem CID 3217171) has the molecular formula C21H23FN2O and a molecular weight of 338.43 g/mol. Its IUPAC name is N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide
PubChem CID3217171
Molecular FormulaC21H23FN2O
Molecular Weight338.43 g/mol
Exact Mass338.18
IUPAC NameN-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide
SMILESO=C(NC1CC2CCC(C1)N2Cc1ccccc1)c1cccc(F)c1
InChIInChI=1S/C21H23FN2O/c22-17-8-4-7-16(11-17)21(25)23-18-12-19-9-10-20(13-18)24(19)14-15-5-2-1-3-6-15/h1-8,11,18-20H,9-10,12-14H2,(H,23,25)
InChIKeyPKYQDHABCZQNOI-UHFFFAOYSA-N
XLogP3.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)naphthalene-2-carboxamide
CID 54577620
N-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-fluorobenzamide
CID 50903491
N-[2-[[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-2-oxoethyl]-3-chlorobenzamide
CID 12002973
1-[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-3-(2,4-difluorophenyl)urea
CID 7402590
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2,4,5-trimethoxybenzamide
CID 3059383
N-[(1R,5S)-9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-fluorobenzamide
CID 11861829
3-methyl-N-[(1S,5S)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1467036
N-[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-4-ethoxybenzamide
CID 98109975
N-[(1S,5S)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]-3,4-dimethoxybenzamide
CID 1461856
N-[(1S,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-2-bromobenzamide
CID 7223858
(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(3-fluorophenyl)methanone
CID 171950932
2-chloro-N-[8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 68822844

Frequently Asked Questions

What is the IUPAC name of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide?
The IUPAC name of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide (CID 3217171) is N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide.
What is the SMILES notation for N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide?
The canonical SMILES for N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide is O=C(NC1CC2CCC(C1)N2Cc1ccccc1)c1cccc(F)c1.
What is the InChIKey of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide?
The InChIKey is PKYQDHABCZQNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O/c22-17-8-4-7-16(11-17)21(25)23-18-12-19-9-10-20(13-18)24(19)14-15-5-2-1-3-6-15/h1-8,11,18-20H,9-10,12-14H2,(H,23,25).
What are the key properties of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide?
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide has a molecular weight of 338.43 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide is sourced from PubChem (CID 3217171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).