N-[8-[(3-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide

C25H25FN2O — CID 132991898

IUPACN-[8-[(3-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2Cc1cccc(F)c1)c1ccc2ccccc2c1
InChIInChI=1S/C25H25FN2O/c26-21-7-3-4-17(12-21)16-28-23-10-11-24(28)15-22(14-23)27-25(29)20-9-8-18-5-1-2-6-19(18)13-20/h1-9,12-13,22-24H,10-11,14-16H2,(H,27,29)
InChIKeyPEUBRJWCXGVXAM-UHFFFAOYSA-N
MW388.49 g/mol
LogP4.90
Rot. Bonds4

About N-[8-[(3-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide

N-[8-[(3-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide (PubChem CID 132991898) has the molecular formula C25H25FN2O and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[8-[(3-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[8-[(3-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide
PubChem CID132991898
Molecular FormulaC25H25FN2O
Molecular Weight388.49 g/mol
Exact Mass388.20
IUPAC NameN-[8-[(3-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2Cc1cccc(F)c1)c1ccc2ccccc2c1
InChIInChI=1S/C25H25FN2O/c26-21-7-3-4-17(12-21)16-28-23-10-11-24(28)15-22(14-23)27-25(29)20-9-8-18-5-1-2-6-19(18)13-20/h1-9,12-13,22-24H,10-11,14-16H2,(H,27,29)
InChIKeyPEUBRJWCXGVXAM-UHFFFAOYSA-N
XLogP4.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[8-[(3-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide with MolForge

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Related Compounds

N,N'-dicyclohexyl-2,6-naphthalenedicarboxamide
CID 21987656
N-(1-benzylpiperidin-4-yl)naphthalene-2-carboxamide
CID 16725912
N-[1-(2-phenylethyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 35295787
N-[1-(2-phenylethyl)piperidin-4-yl]naphthalene-2-carboxamide
CID 35296170
(S)-N-isobutyl-N-(pyrrolidin-3-yl)-2-naphthamide
CID 11220185
(R)-N-isobutyl-N-(pyrrolidin-3-yl)-2-naphthamide
CID 11323940
Substituted Benzamide Derivative, 2
CID 44236114
4-[(R)-(S)-8-Aza-bicyclo[3.2.1]oct-(3Z)-ylidene-phenyl-methyl]-N,N-diethyl-benzamide
CID 9820950
N-ethyl-4-((8-phenethyl-8-azabicyclo(3.2.1)oct-3-ylidene)phenylmethyl)benzamide
CID 10225885
N,N-Diethyl-4-(naphthalen-1-yl-piperidin-4-ylidene-methyl)-benzamide
CID 10620902
3-[[3-(dimethylamino)propyl-methylamino]methyl]-N-[[4-fluoro-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]benzamide
CID 11535362
2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5,6-dihydro-4H-benzo[de]isoquinolin-1-one
CID 19769699

Frequently Asked Questions

What is the IUPAC name of N-[8-[(3-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide?
The IUPAC name of N-[8-[(3-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide (CID 132991898) is N-[8-[(3-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[8-[(3-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[8-[(3-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide is O=C(NC1CC2CCC(C1)N2Cc1cccc(F)c1)c1ccc2ccccc2c1.
What is the InChIKey of N-[8-[(3-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide?
The InChIKey is PEUBRJWCXGVXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O/c26-21-7-3-4-17(12-21)16-28-23-10-11-24(28)15-22(14-23)27-25(29)20-9-8-18-5-1-2-6-19(18)13-20/h1-9,12-13,22-24H,10-11,14-16H2,(H,27,29).
What are the key properties of N-[8-[(3-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide?
N-[8-[(3-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[(3-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 132991898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).