N-[(1R,5R)-9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-methylbenzamide

C23H27FN2O — CID 98110207

IUPACN-[(1R,5R)-9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1C[C@H]2CCC[C@H](C1)N2Cc1ccc(F)cc1
InChIInChI=1S/C23H27FN2O/c1-16-5-2-3-8-22(16)23(27)25-19-13-20-6-4-7-21(14-19)26(20)15-17-9-11-18(24)12-10-17/h2-3,5,8-12,19-21H,4,6-7,13-15H2,1H3,(H,25,27)/t20-,21-/m1/s1
InChIKeyOJRLTGJWOJQRQF-NHCUHLMSSA-N
MW366.48 g/mol
LogP4.45
Rot. Bonds4

About N-[(1R,5R)-9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-methylbenzamide

N-[(1R,5R)-9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-methylbenzamide (PubChem CID 98110207) has the molecular formula C23H27FN2O and a molecular weight of 366.48 g/mol. Its IUPAC name is N-[(1R,5R)-9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(1R,5R)-9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-methylbenzamide
PubChem CID98110207
Molecular FormulaC23H27FN2O
Molecular Weight366.48 g/mol
Exact Mass366.21
IUPAC NameN-[(1R,5R)-9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1C[C@H]2CCC[C@H](C1)N2Cc1ccc(F)cc1
InChIInChI=1S/C23H27FN2O/c1-16-5-2-3-8-22(16)23(27)25-19-13-20-6-4-7-21(14-19)26(20)15-17-9-11-18(24)12-10-17/h2-3,5,8-12,19-21H,4,6-7,13-15H2,1H3,(H,25,27)/t20-,21-/m1/s1
InChIKeyOJRLTGJWOJQRQF-NHCUHLMSSA-N
XLogP4.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1R,5R)-9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-methylbenzamide with MolForge

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Related Compounds

2-methyl-N-[(1S,5R)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 51685001
2-chloro-N-[(1R,5R)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 98110280
1-(2,6-dimethylphenyl)-3-[9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 43813919
2-fluoro-N-[9-[(4-methoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 43813940
(1S,5S)-N-(4-fluorophenyl)-3-[(2-methylbenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 98110480
1-[9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-3-(2-methylphenyl)thiourea
CID 43813924
N-[9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]cyclopropanecarboxamide
CID 43813930
1-benzyl-3-[9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 3217267
2-chloro-N-[8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 68822844
N-[(1R,5R)-9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-4-nitrobenzamide
CID 98110213
1-[8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(2-methylphenyl)thiourea
CID 3217809
2-fluoro-N-[9-[(2-methoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 43813977

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R)-9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-methylbenzamide?
The IUPAC name of N-[(1R,5R)-9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-methylbenzamide (CID 98110207) is N-[(1R,5R)-9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-methylbenzamide.
What is the SMILES notation for N-[(1R,5R)-9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-methylbenzamide?
The canonical SMILES for N-[(1R,5R)-9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC1C[C@H]2CCC[C@H](C1)N2Cc1ccc(F)cc1.
What is the InChIKey of N-[(1R,5R)-9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-methylbenzamide?
The InChIKey is OJRLTGJWOJQRQF-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H27FN2O/c1-16-5-2-3-8-22(16)23(27)25-19-13-20-6-4-7-21(14-19)26(20)15-17-9-11-18(24)12-10-17/h2-3,5,8-12,19-21H,4,6-7,13-15H2,1H3,(H,25,27)/t20-,21-/m1/s1.
What are the key properties of N-[(1R,5R)-9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-methylbenzamide?
N-[(1R,5R)-9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-methylbenzamide has a molecular weight of 366.48 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5R)-9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-methylbenzamide is sourced from PubChem (CID 98110207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).