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

C23H26FN3O2 — CID 98110456

IUPAC(1R,5R)-N-(2-fluorophenyl)-3-[(4-methylbenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide
SMILESCc1ccc(C(=O)NC2C[C@H]3CCC[C@H](C2)N3C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C23H26FN3O2/c1-15-9-11-16(12-10-15)22(28)25-17-13-18-5-4-6-19(14-17)27(18)23(29)26-21-8-3-2-7-20(21)24/h2-3,7-12,17-19H,4-6,13-14H2,1H3,(H,25,28)(H,26,29)/t18-,19-/m1/s1
InChIKeyQWOGWSXZNYHRMU-RTBURBONSA-N
MW395.48 g/mol
LogP4.48
Rot. Bonds3

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

(1R,5R)-N-(2-fluorophenyl)-3-[(4-methylbenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide (PubChem CID 98110456) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is (1R,5R)-N-(2-fluorophenyl)-3-[(4-methylbenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide.

Molecular Properties

Compound Name(1R,5R)-N-(2-fluorophenyl)-3-[(4-methylbenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide
PubChem CID98110456
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name(1R,5R)-N-(2-fluorophenyl)-3-[(4-methylbenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide
SMILESCc1ccc(C(=O)NC2C[C@H]3CCC[C@H](C2)N3C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C23H26FN3O2/c1-15-9-11-16(12-10-15)22(28)25-17-13-18-5-4-6-19(14-17)27(18)23(29)26-21-8-3-2-7-20(21)24/h2-3,7-12,17-19H,4-6,13-14H2,1H3,(H,25,28)(H,26,29)/t18-,19-/m1/s1
InChIKeyQWOGWSXZNYHRMU-RTBURBONSA-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 (1R,5R)-N-(2-fluorophenyl)-3-[(4-methylbenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide with MolForge

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Related Compounds

3-[(4-fluorobenzoyl)amino]-N-(2-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 3218272
3-benzamido-N-(2-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 3218255
(1R,5R)-3-benzamido-N-(3-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 7403530
4-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 139083931
(1S,5S)-3-benzamido-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 98110463
(1R,5R)-3-[(4-fluorobenzoyl)amino]-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 7403583
(1S,5S)-3-(cyclopropanecarbonylamino)-N-(2-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 7229967
1-N-cyclohexyl-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide
CID 109044796
(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
(1S,5S)-N-(4-fluorophenyl)-3-[(2-methylbenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 98110480
N-cyclopropyl-4-methylbenzamide;1-fluoro-2-methylbenzene
CID 145473701

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-N-(2-fluorophenyl)-3-[(4-methylbenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide?
The IUPAC name of (1R,5R)-N-(2-fluorophenyl)-3-[(4-methylbenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide (CID 98110456) is (1R,5R)-N-(2-fluorophenyl)-3-[(4-methylbenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide.
What is the SMILES notation for (1R,5R)-N-(2-fluorophenyl)-3-[(4-methylbenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide?
The canonical SMILES for (1R,5R)-N-(2-fluorophenyl)-3-[(4-methylbenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide is Cc1ccc(C(=O)NC2C[C@H]3CCC[C@H](C2)N3C(=O)Nc2ccccc2F)cc1.
What is the InChIKey of (1R,5R)-N-(2-fluorophenyl)-3-[(4-methylbenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide?
The InChIKey is QWOGWSXZNYHRMU-RTBURBONSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-15-9-11-16(12-10-15)22(28)25-17-13-18-5-4-6-19(14-17)27(18)23(29)26-21-8-3-2-7-20(21)24/h2-3,7-12,17-19H,4-6,13-14H2,1H3,(H,25,28)(H,26,29)/t18-,19-/m1/s1.
What are the key properties of (1R,5R)-N-(2-fluorophenyl)-3-[(4-methylbenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide?
(1R,5R)-N-(2-fluorophenyl)-3-[(4-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 (1R,5R)-N-(2-fluorophenyl)-3-[(4-methylbenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide is sourced from PubChem (CID 98110456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).