N-cyclopentyl-3-[(4-fluorobenzoyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxamide

C20H26FN3O2 — CID 156610411

IUPACN-cyclopentyl-3-[(4-fluorobenzoyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2C(=O)NC1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C20H26FN3O2/c21-14-7-5-13(6-8-14)19(25)22-16-11-17-9-10-18(12-16)24(17)20(26)23-15-3-1-2-4-15/h5-8,15-18H,1-4,9-12H2,(H,22,25)(H,23,26)
InChIKeyMFTCNORBGTUHEY-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.20
Rot. Bonds3

About N-cyclopentyl-3-[(4-fluorobenzoyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxamide

N-cyclopentyl-3-[(4-fluorobenzoyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 156610411) has the molecular formula C20H26FN3O2 and a molecular weight of 359.45 g/mol. Its IUPAC name is N-cyclopentyl-3-[(4-fluorobenzoyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[(4-fluorobenzoyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID156610411
Molecular FormulaC20H26FN3O2
Molecular Weight359.45 g/mol
Exact Mass359.20
IUPAC NameN-cyclopentyl-3-[(4-fluorobenzoyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2C(=O)NC1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C20H26FN3O2/c21-14-7-5-13(6-8-14)19(25)22-16-11-17-9-10-18(12-16)24(17)20(26)23-15-3-1-2-4-15/h5-8,15-18H,1-4,9-12H2,(H,22,25)(H,23,26)
InChIKeyMFTCNORBGTUHEY-UHFFFAOYSA-N
XLogP3.20
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,5R)-N-cyclohexyl-3-[(4-fluorobenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 1467265
(1S,5S)-N-cyclohexyl-3-[(4-fluorobenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 1467264
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
(1R,5R)-3-[(4-fluorobenzoyl)amino]-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 7403583
4-fluoro-N-[9-(methylcarbamothioyl)-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 3218304
(1R,5S)-3-[(4-ethoxybenzoyl)amino]-N-(4-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 51686409
3-[(4-fluorobenzoyl)amino]-N-(4-methoxy-2-methylphenyl)-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 156610191
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-4-fluorobenzamide
CID 113223634
N-[(1R,5S)-8-(1-ethylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide
CID 91912186
4-fluoro-N-[(1R,5S)-8-(4-phenylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 91912163
N-[(1S,5R)-8-(2,3-dimethoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide
CID 91924414

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[(4-fluorobenzoyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of N-cyclopentyl-3-[(4-fluorobenzoyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 156610411) is N-cyclopentyl-3-[(4-fluorobenzoyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-[(4-fluorobenzoyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for N-cyclopentyl-3-[(4-fluorobenzoyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxamide is O=C(NC1CC2CCC(C1)N2C(=O)NC1CCCC1)c1ccc(F)cc1.
What is the InChIKey of N-cyclopentyl-3-[(4-fluorobenzoyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is MFTCNORBGTUHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O2/c21-14-7-5-13(6-8-14)19(25)22-16-11-17-9-10-18(12-16)24(17)20(26)23-15-3-1-2-4-15/h5-8,15-18H,1-4,9-12H2,(H,22,25)(H,23,26).
What are the key properties of N-cyclopentyl-3-[(4-fluorobenzoyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxamide?
N-cyclopentyl-3-[(4-fluorobenzoyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[(4-fluorobenzoyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 156610411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).