4-fluoro-N-[(1R,5S)-8-(4-phenylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide

C24H27FN2O2 — CID 91912163

IUPAC4-fluoro-N-[(1R,5S)-8-(4-phenylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide
SMILESO=C(NC1C[C@H]2CC[C@@H](C1)N2C(=O)CCCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C24H27FN2O2/c25-19-11-9-18(10-12-19)24(29)26-20-15-21-13-14-22(16-20)27(21)23(28)8-4-7-17-5-2-1-3-6-17/h1-3,5-6,9-12,20-22H,4,7-8,13-16H2,(H,26,29)/t20?,21-,22+
InChIKeySYMDAEYXRJAYAV-FRIKZZABSA-N
MW394.49 g/mol
LogP4.10
Rot. Bonds6

About 4-fluoro-N-[(1R,5S)-8-(4-phenylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide

4-fluoro-N-[(1R,5S)-8-(4-phenylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide (PubChem CID 91912163) has the molecular formula C24H27FN2O2 and a molecular weight of 394.49 g/mol. Its IUPAC name is 4-fluoro-N-[(1R,5S)-8-(4-phenylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(1R,5S)-8-(4-phenylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide
PubChem CID91912163
Molecular FormulaC24H27FN2O2
Molecular Weight394.49 g/mol
Exact Mass394.21
IUPAC Name4-fluoro-N-[(1R,5S)-8-(4-phenylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide
SMILESO=C(NC1C[C@H]2CC[C@@H](C1)N2C(=O)CCCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C24H27FN2O2/c25-19-11-9-18(10-12-19)24(29)26-20-15-21-13-14-22(16-20)27(21)23(28)8-4-7-17-5-2-1-3-6-17/h1-3,5-6,9-12,20-22H,4,7-8,13-16H2,(H,26,29)/t20?,21-,22+
InChIKeySYMDAEYXRJAYAV-FRIKZZABSA-N
XLogP4.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-N-[(1R,5S)-8-(4-phenylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide with MolForge

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Related Compounds

4-fluoro-N-[(1R,5S)-8-[3-(4-methoxyphenyl)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 91912162
4-fluoro-N-[1-(3-phenylpropyl)piperidin-4-yl]benzamide
CID 34799426
N-[8-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide
CID 156610410
N-cyclopentyl-3-[(4-fluorobenzoyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 156610411
2,3,4,5,6-pentafluoro-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 45144983
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide
CID 3217171
3-[(4-fluorobenzoyl)amino]-N-(3-methylbutyl)-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 156610431
3-[(4-fluorobenzoyl)amino]-N-(2-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 3218272
N-[(1S,5R)-8-(2,3-dimethoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide
CID 91924414
(1S,5S)-N-cyclohexyl-3-[(4-fluorobenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 1467264
(1S,5R)-N-cyclohexyl-3-[(4-fluorobenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 1467265
N-[(1R,5S)-8-(1-ethylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide
CID 91912186

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1R,5S)-8-(4-phenylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
The IUPAC name of 4-fluoro-N-[(1R,5S)-8-(4-phenylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide (CID 91912163) is 4-fluoro-N-[(1R,5S)-8-(4-phenylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(1R,5S)-8-(4-phenylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[(1R,5S)-8-(4-phenylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide is O=C(NC1C[C@H]2CC[C@@H](C1)N2C(=O)CCCc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(1R,5S)-8-(4-phenylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
The InChIKey is SYMDAEYXRJAYAV-FRIKZZABSA-N. The full InChI is InChI=1S/C24H27FN2O2/c25-19-11-9-18(10-12-19)24(29)26-20-15-21-13-14-22(16-20)27(21)23(28)8-4-7-17-5-2-1-3-6-17/h1-3,5-6,9-12,20-22H,4,7-8,13-16H2,(H,26,29)/t20?,21-,22+.
What are the key properties of 4-fluoro-N-[(1R,5S)-8-(4-phenylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
4-fluoro-N-[(1R,5S)-8-(4-phenylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide has a molecular weight of 394.49 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1R,5S)-8-(4-phenylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide is sourced from PubChem (CID 91912163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).