N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluoro-4-(4-fluoro-2-methylphenyl)benzamide

C21H22F2N2O — CID 119457311

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluoro-4-(4-fluoro-2-methylphenyl)benzamide
SMILESCc1cc(F)ccc1-c1ccc(C(=O)NC2CC3CCC(C2)N3)cc1F
InChIInChI=1S/C21H22F2N2O/c1-12-8-14(22)3-7-18(12)19-6-2-13(9-20(19)23)21(26)25-17-10-15-4-5-16(11-17)24-15/h2-3,6-9,15-17,24H,4-5,10-11H2,1H3,(H,25,26)
InChIKeyWETSGRNLIYYJFJ-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.95
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluoro-4-(4-fluoro-2-methylphenyl)benzamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluoro-4-(4-fluoro-2-methylphenyl)benzamide (PubChem CID 119457311) has the molecular formula C21H22F2N2O and a molecular weight of 356.42 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluoro-4-(4-fluoro-2-methylphenyl)benzamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluoro-4-(4-fluoro-2-methylphenyl)benzamide
PubChem CID119457311
Molecular FormulaC21H22F2N2O
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluoro-4-(4-fluoro-2-methylphenyl)benzamide
SMILESCc1cc(F)ccc1-c1ccc(C(=O)NC2CC3CCC(C2)N3)cc1F
InChIInChI=1S/C21H22F2N2O/c1-12-8-14(22)3-7-18(12)19-6-2-13(9-20(19)23)21(26)25-17-10-15-4-5-16(11-17)24-15/h2-3,6-9,15-17,24H,4-5,10-11H2,1H3,(H,25,26)
InChIKeyWETSGRNLIYYJFJ-UHFFFAOYSA-N
XLogP3.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluoro-4-(4-fluoro-2-methylphenyl)benzamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluoro-4-(4-fluoro-2-methylphenyl)benzamide (CID 119457311) is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluoro-4-(4-fluoro-2-methylphenyl)benzamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluoro-4-(4-fluoro-2-methylphenyl)benzamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluoro-4-(4-fluoro-2-methylphenyl)benzamide is Cc1cc(F)ccc1-c1ccc(C(=O)NC2CC3CCC(C2)N3)cc1F.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluoro-4-(4-fluoro-2-methylphenyl)benzamide?
The InChIKey is WETSGRNLIYYJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O/c1-12-8-14(22)3-7-18(12)19-6-2-13(9-20(19)23)21(26)25-17-10-15-4-5-16(11-17)24-15/h2-3,6-9,15-17,24H,4-5,10-11H2,1H3,(H,25,26).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluoro-4-(4-fluoro-2-methylphenyl)benzamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluoro-4-(4-fluoro-2-methylphenyl)benzamide has a molecular weight of 356.42 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluoro-4-(4-fluoro-2-methylphenyl)benzamide is sourced from PubChem (CID 119457311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).