3-fluoro-N-[5-(6-methyl-2-pyridinyl)-1-bicyclo[3.2.1]octanyl]benzamide

C21H23FN2O — CID 130285049

IUPAC3-fluoro-N-[5-(6-methyl-2-pyridinyl)-1-bicyclo[3.2.1]octanyl]benzamide
SMILESCc1cccc(C23CCCC(NC(=O)c4cccc(F)c4)(CC2)C3)n1
InChIInChI=1S/C21H23FN2O/c1-15-5-2-8-18(23-15)20-9-4-10-21(14-20,12-11-20)24-19(25)16-6-3-7-17(22)13-16/h2-3,5-8,13H,4,9-12,14H2,1H3,(H,24,25)
InChIKeySEZGKRSOTBQVQC-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.30
Rot. Bonds3

About 3-fluoro-N-[5-(6-methyl-2-pyridinyl)-1-bicyclo[3.2.1]octanyl]benzamide

3-fluoro-N-[5-(6-methyl-2-pyridinyl)-1-bicyclo[3.2.1]octanyl]benzamide (PubChem CID 130285049) has the molecular formula C21H23FN2O and a molecular weight of 338.43 g/mol. Its IUPAC name is 3-fluoro-N-[5-(6-methyl-2-pyridinyl)-1-bicyclo[3.2.1]octanyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[5-(6-methyl-2-pyridinyl)-1-bicyclo[3.2.1]octanyl]benzamide
PubChem CID130285049
Molecular FormulaC21H23FN2O
Molecular Weight338.43 g/mol
Exact Mass338.18
IUPAC Name3-fluoro-N-[5-(6-methyl-2-pyridinyl)-1-bicyclo[3.2.1]octanyl]benzamide
SMILESCc1cccc(C23CCCC(NC(=O)c4cccc(F)c4)(CC2)C3)n1
InChIInChI=1S/C21H23FN2O/c1-15-5-2-8-18(23-15)20-9-4-10-21(14-20,12-11-20)24-19(25)16-6-3-7-17(22)13-16/h2-3,5-8,13H,4,9-12,14H2,1H3,(H,24,25)
InChIKeySEZGKRSOTBQVQC-UHFFFAOYSA-N
XLogP4.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-N-[5-(6-methyl-2-pyridinyl)-1-bicyclo[3.2.1]octanyl]benzamide with MolForge

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Related Compounds

N-[5-[(3-fluorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-3-methylbenzamide
CID 57406298
N-[(1S,5R)-5-amino-1-bicyclo[3.2.1]octanyl]-3-fluorobenzamide
CID 70497343
6-methyl-N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide
CID 70497797
6-methyl-N-[5-[(5-methylpyridine-3-carbonyl)amino]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide
CID 70498464
1-[(3-fluorobenzoyl)amino]-3,3-dimethylcyclopentane-1-carboxylic acid
CID 166317351
N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyridine-3-carboxamide
CID 70497716
2-methyl-N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyrimidine-4-carboxamide
CID 57406485
N-[1-(aminomethyl)cyclopentyl]-3-fluorobenzamide
CID 16740505
N-[1-(4-fluorophenyl)cyclobutyl]-3-methylbenzamide
CID 110441487
6-methyl-N-[5-[2-(6-methyl-2-pyridinyl)ethynyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide
CID 71535582
N-(1-cyanocyclooctyl)-3-fluorobenzamide
CID 60968532
N-[(5R)-5-[(6-methyl-2-pyridinyl)carbamoyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide
CID 130286496

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[5-(6-methyl-2-pyridinyl)-1-bicyclo[3.2.1]octanyl]benzamide?
The IUPAC name of 3-fluoro-N-[5-(6-methyl-2-pyridinyl)-1-bicyclo[3.2.1]octanyl]benzamide (CID 130285049) is 3-fluoro-N-[5-(6-methyl-2-pyridinyl)-1-bicyclo[3.2.1]octanyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[5-(6-methyl-2-pyridinyl)-1-bicyclo[3.2.1]octanyl]benzamide?
The canonical SMILES for 3-fluoro-N-[5-(6-methyl-2-pyridinyl)-1-bicyclo[3.2.1]octanyl]benzamide is Cc1cccc(C23CCCC(NC(=O)c4cccc(F)c4)(CC2)C3)n1.
What is the InChIKey of 3-fluoro-N-[5-(6-methyl-2-pyridinyl)-1-bicyclo[3.2.1]octanyl]benzamide?
The InChIKey is SEZGKRSOTBQVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O/c1-15-5-2-8-18(23-15)20-9-4-10-21(14-20,12-11-20)24-19(25)16-6-3-7-17(22)13-16/h2-3,5-8,13H,4,9-12,14H2,1H3,(H,24,25).
What are the key properties of 3-fluoro-N-[5-(6-methyl-2-pyridinyl)-1-bicyclo[3.2.1]octanyl]benzamide?
3-fluoro-N-[5-(6-methyl-2-pyridinyl)-1-bicyclo[3.2.1]octanyl]benzamide has a molecular weight of 338.43 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[5-(6-methyl-2-pyridinyl)-1-bicyclo[3.2.1]octanyl]benzamide is sourced from PubChem (CID 130285049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).