(1R,5R)-3-[(4-fluorobenzoyl)amino]-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide

C22H23F2N3O2 — CID 7403583

IUPAC(1R,5R)-3-[(4-fluorobenzoyl)amino]-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
SMILESO=C(NC1C[C@H]2CCC[C@H](C1)N2C(=O)Nc1cccc(F)c1)c1ccc(F)cc1
InChIInChI=1S/C22H23F2N3O2/c23-15-9-7-14(8-10-15)21(28)25-18-12-19-5-2-6-20(13-18)27(19)22(29)26-17-4-1-3-16(24)11-17/h1,3-4,7-11,18-20H,2,5-6,12-13H2,(H,25,28)(H,26,29)/t19-,20-/m1/s1
InChIKeyUHTNPLQGVXFULK-WOJBJXKFSA-N
MW399.44 g/mol
LogP4.31
Rot. Bonds3

About (1R,5R)-3-[(4-fluorobenzoyl)amino]-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide

(1R,5R)-3-[(4-fluorobenzoyl)amino]-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide (PubChem CID 7403583) has the molecular formula C22H23F2N3O2 and a molecular weight of 399.44 g/mol. Its IUPAC name is (1R,5R)-3-[(4-fluorobenzoyl)amino]-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide.

Molecular Properties

Compound Name(1R,5R)-3-[(4-fluorobenzoyl)amino]-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
PubChem CID7403583
Molecular FormulaC22H23F2N3O2
Molecular Weight399.44 g/mol
Exact Mass399.18
IUPAC Name(1R,5R)-3-[(4-fluorobenzoyl)amino]-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
SMILESO=C(NC1C[C@H]2CCC[C@H](C1)N2C(=O)Nc1cccc(F)c1)c1ccc(F)cc1
InChIInChI=1S/C22H23F2N3O2/c23-15-9-7-14(8-10-15)21(28)25-18-12-19-5-2-6-20(13-18)27(19)22(29)26-17-4-1-3-16(24)11-17/h1,3-4,7-11,18-20H,2,5-6,12-13H2,(H,25,28)(H,26,29)/t19-,20-/m1/s1
InChIKeyUHTNPLQGVXFULK-WOJBJXKFSA-N
XLogP4.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Related Compounds

(1S,5S)-3-benzamido-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 98110463
(1S,5R)-3-(cyclopropanecarbonylamino)-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 11902412
(1R,5R)-3-(2,2-dimethylpropanoylamino)-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 98110472
3-[(4-fluorobenzoyl)amino]-N-(2-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 3218272
(1R,5R)-3-benzamido-N-(3-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 7403530
(1S,5S)-3-benzamido-N-(3-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 7403544
(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
(1R,5S)-3-[(4-ethoxybenzoyl)amino]-N-(4-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 51686409
N-cyclopentyl-3-[(4-fluorobenzoyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 156610411
3-acetamido-N-(4-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 3218280
(1S,5S)-N-(4-fluorophenyl)-3-[(2-methylbenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 98110480

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-3-[(4-fluorobenzoyl)amino]-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide?
The IUPAC name of (1R,5R)-3-[(4-fluorobenzoyl)amino]-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide (CID 7403583) is (1R,5R)-3-[(4-fluorobenzoyl)amino]-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide.
What is the SMILES notation for (1R,5R)-3-[(4-fluorobenzoyl)amino]-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide?
The canonical SMILES for (1R,5R)-3-[(4-fluorobenzoyl)amino]-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide is O=C(NC1C[C@H]2CCC[C@H](C1)N2C(=O)Nc1cccc(F)c1)c1ccc(F)cc1.
What is the InChIKey of (1R,5R)-3-[(4-fluorobenzoyl)amino]-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide?
The InChIKey is UHTNPLQGVXFULK-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H23F2N3O2/c23-15-9-7-14(8-10-15)21(28)25-18-12-19-5-2-6-20(13-18)27(19)22(29)26-17-4-1-3-16(24)11-17/h1,3-4,7-11,18-20H,2,5-6,12-13H2,(H,25,28)(H,26,29)/t19-,20-/m1/s1.
What are the key properties of (1R,5R)-3-[(4-fluorobenzoyl)amino]-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide?
(1R,5R)-3-[(4-fluorobenzoyl)amino]-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide has a molecular weight of 399.44 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-3-[(4-fluorobenzoyl)amino]-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide is sourced from PubChem (CID 7403583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).