(9-amino-3-bicyclo[3.3.1]nonanyl)-(5,6-difluoro-2,3-dihydroindol-1-yl)methanone

C18H22F2N2O — CID 120986068

IUPAC(9-amino-3-bicyclo[3.3.1]nonanyl)-(5,6-difluoro-2,3-dihydroindol-1-yl)methanone
SMILESNC1C2CCCC1CC(C(=O)N1CCc3cc(F)c(F)cc31)C2
InChIInChI=1S/C18H22F2N2O/c19-14-8-10-4-5-22(16(10)9-15(14)20)18(23)13-6-11-2-1-3-12(7-13)17(11)21/h8-9,11-13,17H,1-7,21H2
InChIKeyHOSMEMYBDHBGAF-UHFFFAOYSA-N
MW320.38 g/mol
LogP3.01
Rot. Bonds1

About (9-amino-3-bicyclo[3.3.1]nonanyl)-(5,6-difluoro-2,3-dihydroindol-1-yl)methanone

(9-amino-3-bicyclo[3.3.1]nonanyl)-(5,6-difluoro-2,3-dihydroindol-1-yl)methanone (PubChem CID 120986068) has the molecular formula C18H22F2N2O and a molecular weight of 320.38 g/mol. Its IUPAC name is (9-amino-3-bicyclo[3.3.1]nonanyl)-(5,6-difluoro-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(9-amino-3-bicyclo[3.3.1]nonanyl)-(5,6-difluoro-2,3-dihydroindol-1-yl)methanone
PubChem CID120986068
Molecular FormulaC18H22F2N2O
Molecular Weight320.38 g/mol
Exact Mass320.17
IUPAC Name(9-amino-3-bicyclo[3.3.1]nonanyl)-(5,6-difluoro-2,3-dihydroindol-1-yl)methanone
SMILESNC1C2CCCC1CC(C(=O)N1CCc3cc(F)c(F)cc31)C2
InChIInChI=1S/C18H22F2N2O/c19-14-8-10-4-5-22(16(10)9-15(14)20)18(23)13-6-11-2-1-3-12(7-13)17(11)21/h8-9,11-13,17H,1-7,21H2
InChIKeyHOSMEMYBDHBGAF-UHFFFAOYSA-N
XLogP3.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (9-amino-3-bicyclo[3.3.1]nonanyl)-(5,6-difluoro-2,3-dihydroindol-1-yl)methanone with MolForge

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Related Compounds

(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(oxolan-3-yl)methanone
CID 128950679
[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 98672598
(3-aminocyclohexyl)-(6-chloro-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119760507
(9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone
CID 120983574
3-(6-fluoro-2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylic acid
CID 103953312
(9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone;hydrochloride
CID 120983573
(9-amino-3-bicyclo[3.3.1]nonanyl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone;hydrochloride
CID 120990522
[(1R,3R)-3-aminocyclopentyl]-(6-chloro-2,3-dihydroindol-1-yl)methanone
CID 124699729
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-9-aminobicyclo[3.3.1]nonane-3-carboxamide
CID 120988225
(9-amino-3-bicyclo[3.3.1]nonanyl)-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 120989635
(9-amino-3-bicyclo[3.3.1]nonanyl)-morpholin-4-ylmethanone;hydrochloride
CID 120983451
1-[(2R)-5-bromo-2,3-dihydro-1H-indene-2-carbonyl]-5-fluoro-2,3-dihydroindole-6-sulfonamide
CID 170593395

Frequently Asked Questions

What is the IUPAC name of (9-amino-3-bicyclo[3.3.1]nonanyl)-(5,6-difluoro-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (9-amino-3-bicyclo[3.3.1]nonanyl)-(5,6-difluoro-2,3-dihydroindol-1-yl)methanone (CID 120986068) is (9-amino-3-bicyclo[3.3.1]nonanyl)-(5,6-difluoro-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (9-amino-3-bicyclo[3.3.1]nonanyl)-(5,6-difluoro-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (9-amino-3-bicyclo[3.3.1]nonanyl)-(5,6-difluoro-2,3-dihydroindol-1-yl)methanone is NC1C2CCCC1CC(C(=O)N1CCc3cc(F)c(F)cc31)C2.
What is the InChIKey of (9-amino-3-bicyclo[3.3.1]nonanyl)-(5,6-difluoro-2,3-dihydroindol-1-yl)methanone?
The InChIKey is HOSMEMYBDHBGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2O/c19-14-8-10-4-5-22(16(10)9-15(14)20)18(23)13-6-11-2-1-3-12(7-13)17(11)21/h8-9,11-13,17H,1-7,21H2.
What are the key properties of (9-amino-3-bicyclo[3.3.1]nonanyl)-(5,6-difluoro-2,3-dihydroindol-1-yl)methanone?
(9-amino-3-bicyclo[3.3.1]nonanyl)-(5,6-difluoro-2,3-dihydroindol-1-yl)methanone has a molecular weight of 320.38 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9-amino-3-bicyclo[3.3.1]nonanyl)-(5,6-difluoro-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 120986068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).