(2,4-dichlorophenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

C19H18Cl2N2O2 — CID 121195460

IUPAC(2,4-dichlorophenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1C2CCC1CC(Oc1ccccn1)C2
InChIInChI=1S/C19H18Cl2N2O2/c20-12-4-7-16(17(21)9-12)19(24)23-13-5-6-14(23)11-15(10-13)25-18-3-1-2-8-22-18/h1-4,7-9,13-15H,5-6,10-11H2
InChIKeyFVAYBNMAIDHHJF-UHFFFAOYSA-N
MW377.27 g/mol
LogP4.60
Rot. Bonds3

About (2,4-dichlorophenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

(2,4-dichlorophenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 121195460) has the molecular formula C19H18Cl2N2O2 and a molecular weight of 377.27 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID121195460
Molecular FormulaC19H18Cl2N2O2
Molecular Weight377.27 g/mol
Exact Mass376.07
IUPAC Name(2,4-dichlorophenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1C2CCC1CC(Oc1ccccn1)C2
InChIInChI=1S/C19H18Cl2N2O2/c20-12-4-7-16(17(21)9-12)19(24)23-13-5-6-14(23)11-15(10-13)25-18-3-1-2-8-22-18/h1-4,7-9,13-15H,5-6,10-11H2
InChIKeyFVAYBNMAIDHHJF-UHFFFAOYSA-N
XLogP4.60
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2,4-dichlorophenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone with MolForge

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Related Compounds

3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 66927720
(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 121195347
3-(3-chlorophenyl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 121195386
(3,4-dimethylphenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121195475
(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-quinoxalin-6-ylmethanone
CID 121195478
(4-bromothiophen-2-yl)-[(1S,5S)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 129357904
(2-chlorophenyl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186471
1-benzothiophen-2-yl-[(1S,5S)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 129356016
(3-fluoro-4-methoxyphenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121022249
1,3-benzodioxol-5-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121195310
N,N-diphenyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121195568
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121195501

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of (2,4-dichlorophenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 121195460) is (2,4-dichlorophenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for (2,4-dichlorophenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is O=C(c1ccc(Cl)cc1Cl)N1C2CCC1CC(Oc1ccccn1)C2.
What is the InChIKey of (2,4-dichlorophenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is FVAYBNMAIDHHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O2/c20-12-4-7-16(17(21)9-12)19(24)23-13-5-6-14(23)11-15(10-13)25-18-3-1-2-8-22-18/h1-4,7-9,13-15H,5-6,10-11H2.
What are the key properties of (2,4-dichlorophenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
(2,4-dichlorophenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 377.27 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 121195460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).