(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-chloro-6-fluorophenyl)methanone

C14H16ClFN2O — CID 61235156

IUPAC(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-chloro-6-fluorophenyl)methanone
SMILESNC1CC2CCC(C1)N2C(=O)c1c(F)cccc1Cl
InChIInChI=1S/C14H16ClFN2O/c15-11-2-1-3-12(16)13(11)14(19)18-9-4-5-10(18)7-8(17)6-9/h1-3,8-10H,4-7,17H2
InChIKeyXWYKYHSWXVUUCE-UHFFFAOYSA-N
MW282.75 g/mol
LogP2.57
Rot. Bonds1

About (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-chloro-6-fluorophenyl)methanone

(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-chloro-6-fluorophenyl)methanone (PubChem CID 61235156) has the molecular formula C14H16ClFN2O and a molecular weight of 282.75 g/mol. Its IUPAC name is (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-chloro-6-fluorophenyl)methanone.

Molecular Properties

Compound Name(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-chloro-6-fluorophenyl)methanone
PubChem CID61235156
Molecular FormulaC14H16ClFN2O
Molecular Weight282.75 g/mol
Exact Mass282.09
IUPAC Name(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-chloro-6-fluorophenyl)methanone
SMILESNC1CC2CCC(C1)N2C(=O)c1c(F)cccc1Cl
InChIInChI=1S/C14H16ClFN2O/c15-11-2-1-3-12(16)13(11)14(19)18-9-4-5-10(18)7-8(17)6-9/h1-3,8-10H,4-7,17H2
InChIKeyXWYKYHSWXVUUCE-UHFFFAOYSA-N
XLogP2.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-fluoro-6-methoxyphenyl)methanone
CID 65435012
(2,6-difluorophenyl)-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 90591045
(2,6-difluorophenyl)-[(1S,5R)-3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 129373883
(2-chloro-6-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749738
(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(2-chloro-6-nitrophenyl)methanone
CID 63762267
[3-(aminomethyl)piperidin-1-yl]-(2-chloro-6-fluorophenyl)methanone;hydrochloride
CID 119465104
[3-(bromomethyl)pyrrolidin-1-yl]-(2-chloro-6-fluorophenyl)methanone
CID 80667434
(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(2-fluorophenyl)methanone
CID 63764552
(2-amino-6-chlorophenyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone
CID 63659175
(2-chloro-6-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 17217403
[(3R)-3-aminopyrrolidin-1-yl]-(2,6-difluorophenyl)methanone;hydrochloride
CID 119409169
(3-amino-2,6-difluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 79772828

Frequently Asked Questions

What is the IUPAC name of (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-chloro-6-fluorophenyl)methanone?
The IUPAC name of (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-chloro-6-fluorophenyl)methanone (CID 61235156) is (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-chloro-6-fluorophenyl)methanone.
What is the SMILES notation for (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-chloro-6-fluorophenyl)methanone?
The canonical SMILES for (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-chloro-6-fluorophenyl)methanone is NC1CC2CCC(C1)N2C(=O)c1c(F)cccc1Cl.
What is the InChIKey of (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-chloro-6-fluorophenyl)methanone?
The InChIKey is XWYKYHSWXVUUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O/c15-11-2-1-3-12(16)13(11)14(19)18-9-4-5-10(18)7-8(17)6-9/h1-3,8-10H,4-7,17H2.
What are the key properties of (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-chloro-6-fluorophenyl)methanone?
(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-chloro-6-fluorophenyl)methanone has a molecular weight of 282.75 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-chloro-6-fluorophenyl)methanone is sourced from PubChem (CID 61235156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).