(1S,5S)-N-(4-fluorophenyl)-3-[(2-methylbenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide

C23H26FN3O2 — CID 98110480

IUPAC(1S,5S)-N-(4-fluorophenyl)-3-[(2-methylbenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide
SMILESCc1ccccc1C(=O)NC1C[C@@H]2CCC[C@@H](C1)N2C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C23H26FN3O2/c1-15-5-2-3-8-21(15)22(28)25-18-13-19-6-4-7-20(14-18)27(19)23(29)26-17-11-9-16(24)10-12-17/h2-3,5,8-12,18-20H,4,6-7,13-14H2,1H3,(H,25,28)(H,26,29)/t19-,20-/m0/s1
InChIKeyUBXGQICGPOXIGT-PMACEKPBSA-N
MW395.48 g/mol
LogP4.48
Rot. Bonds3

About (1S,5S)-N-(4-fluorophenyl)-3-[(2-methylbenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide

(1S,5S)-N-(4-fluorophenyl)-3-[(2-methylbenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide (PubChem CID 98110480) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is (1S,5S)-N-(4-fluorophenyl)-3-[(2-methylbenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide.

Molecular Properties

Compound Name(1S,5S)-N-(4-fluorophenyl)-3-[(2-methylbenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide
PubChem CID98110480
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name(1S,5S)-N-(4-fluorophenyl)-3-[(2-methylbenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide
SMILESCc1ccccc1C(=O)NC1C[C@@H]2CCC[C@@H](C1)N2C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C23H26FN3O2/c1-15-5-2-3-8-21(15)22(28)25-18-13-19-6-4-7-20(14-18)27(19)23(29)26-17-11-9-16(24)10-12-17/h2-3,5,8-12,18-20H,4,6-7,13-14H2,1H3,(H,25,28)(H,26,29)/t19-,20-/m0/s1
InChIKeyUBXGQICGPOXIGT-PMACEKPBSA-N
XLogP4.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,5S)-N-(4-fluorophenyl)-3-[(2-methylbenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide with MolForge

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Related Compounds

3-acetamido-N-(4-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 3218280
N-[(1R,5R)-9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-methylbenzamide
CID 98110207
(1R,5S)-3-[(4-ethoxybenzoyl)amino]-N-(4-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 51686409
(1R,5R)-3-[(4-fluorobenzoyl)amino]-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 7403583
3-[(4-fluorobenzoyl)amino]-N-(2-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 3218272
(1S,5S)-3-benzamido-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 98110463
(1R,5R)-3-(cyclopropanecarbonylamino)-N-(4-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 98110437
(1R,5R)-3-benzamido-N-(3-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 7403530
2-methyl-N-[(1S,5R)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 51685001
(1R,5R)-N-(2-fluorophenyl)-3-[(4-methylbenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 98110456
(1S,5S)-3-(cyclopropanecarbonylamino)-N-(2-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 7229967
N-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 63764022

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-N-(4-fluorophenyl)-3-[(2-methylbenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide?
The IUPAC name of (1S,5S)-N-(4-fluorophenyl)-3-[(2-methylbenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide (CID 98110480) is (1S,5S)-N-(4-fluorophenyl)-3-[(2-methylbenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide.
What is the SMILES notation for (1S,5S)-N-(4-fluorophenyl)-3-[(2-methylbenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide?
The canonical SMILES for (1S,5S)-N-(4-fluorophenyl)-3-[(2-methylbenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide is Cc1ccccc1C(=O)NC1C[C@@H]2CCC[C@@H](C1)N2C(=O)Nc1ccc(F)cc1.
What is the InChIKey of (1S,5S)-N-(4-fluorophenyl)-3-[(2-methylbenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide?
The InChIKey is UBXGQICGPOXIGT-PMACEKPBSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-15-5-2-3-8-21(15)22(28)25-18-13-19-6-4-7-20(14-18)27(19)23(29)26-17-11-9-16(24)10-12-17/h2-3,5,8-12,18-20H,4,6-7,13-14H2,1H3,(H,25,28)(H,26,29)/t19-,20-/m0/s1.
What are the key properties of (1S,5S)-N-(4-fluorophenyl)-3-[(2-methylbenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide?
(1S,5S)-N-(4-fluorophenyl)-3-[(2-methylbenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-N-(4-fluorophenyl)-3-[(2-methylbenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide is sourced from PubChem (CID 98110480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).