4-fluoro-3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide

C17H23FN2O — CID 65470275

IUPAC4-fluoro-3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
SMILESCc1cc(C(=O)NC2CC3CCCC(C2)N3C)ccc1F
InChIInChI=1S/C17H23FN2O/c1-11-8-12(6-7-16(11)18)17(21)19-13-9-14-4-3-5-15(10-13)20(14)2/h6-8,13-15H,3-5,9-10H2,1-2H3,(H,19,21)
InChIKeyUKBDQYCCQFCRKN-UHFFFAOYSA-N
MW290.38 g/mol
LogP2.88
Rot. Bonds2

About 4-fluoro-3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide

4-fluoro-3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide (PubChem CID 65470275) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
PubChem CID65470275
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name4-fluoro-3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
SMILESCc1cc(C(=O)NC2CC3CCCC(C2)N3C)ccc1F
InChIInChI=1S/C17H23FN2O/c1-11-8-12(6-7-16(11)18)17(21)19-13-9-14-4-3-5-15(10-13)20(14)2/h6-8,13-15H,3-5,9-10H2,1-2H3,(H,19,21)
InChIKeyUKBDQYCCQFCRKN-UHFFFAOYSA-N
XLogP2.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-fluoro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 65472784
4-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 139083931
4-bromo-3-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 80998387
3-bromo-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 65470115
4-fluoro-3-methyl-N-[(3R)-piperidin-3-yl]benzamide
CID 95031837
cis-(1R,3S)-3-[(4-fluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318365
N-(1,1-dioxothian-4-yl)-4-fluoro-3-methylbenzamide
CID 63212616
3-methyl-4-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]benzoic acid
CID 65471841
4-(aminomethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride
CID 119892080
3-(chloromethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 65470268
5-amino-2-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride
CID 120647242
3-[3-[(4-fluoro-3-methylbenzoyl)amino]piperidin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 77441765

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide?
The IUPAC name of 4-fluoro-3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide (CID 65470275) is 4-fluoro-3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide?
The canonical SMILES for 4-fluoro-3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide is Cc1cc(C(=O)NC2CC3CCCC(C2)N3C)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide?
The InChIKey is UKBDQYCCQFCRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-11-8-12(6-7-16(11)18)17(21)19-13-9-14-4-3-5-15(10-13)20(14)2/h6-8,13-15H,3-5,9-10H2,1-2H3,(H,19,21).
What are the key properties of 4-fluoro-3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide?
4-fluoro-3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide has a molecular weight of 290.38 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide is sourced from PubChem (CID 65470275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).