(4-chloro-2-fluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

C14H15ClFNO2 — CID 63763941

IUPAC(4-chloro-2-fluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESO=C(c1ccc(Cl)cc1F)N1C2CCC1CC(O)C2
InChIInChI=1S/C14H15ClFNO2/c15-8-1-4-12(13(16)5-8)14(19)17-9-2-3-10(17)7-11(18)6-9/h1,4-5,9-11,18H,2-3,6-7H2
InChIKeyOMDGOYHVNUYYJX-UHFFFAOYSA-N
MW283.73 g/mol
LogP2.61
Rot. Bonds1

About (4-chloro-2-fluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

(4-chloro-2-fluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 63763941) has the molecular formula C14H15ClFNO2 and a molecular weight of 283.73 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID63763941
Molecular FormulaC14H15ClFNO2
Molecular Weight283.73 g/mol
Exact Mass283.08
IUPAC Name(4-chloro-2-fluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESO=C(c1ccc(Cl)cc1F)N1C2CCC1CC(O)C2
InChIInChI=1S/C14H15ClFNO2/c15-8-1-4-12(13(16)5-8)14(19)17-9-2-3-10(17)7-11(18)6-9/h1,4-5,9-11,18H,2-3,6-7H2
InChIKeyOMDGOYHVNUYYJX-UHFFFAOYSA-N
XLogP2.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.73
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-chloro-2-fluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone with MolForge

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Related Compounds

(5-chloro-2-methylphenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 115532857
[5-chloro-2-(methylamino)phenyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63769496
(4-bromo-2-chlorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63764860
(2,3-dichlorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63764835
(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(2-fluorophenyl)methanone
CID 63764552
(4-fluoro-3-hydroxyphenyl)-[(1R,5S)-3-hydroxy-9-azabicyclo[3.3.1]nonan-9-yl]methanone
CID 163307294
(3-amino-2,6-difluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 79772828
(2S,3aR,7aS)-1-(4-chloro-2-fluorobenzoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
CID 98731267
(4-fluoro-3-methoxyphenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 81002135
(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(4-chloro-2-nitrophenyl)methanone
CID 63762424
(4-chloro-2-fluorophenyl)-cyclopentylmethanone
CID 24724178
1-(4-chloro-2-fluorobenzoyl)-4-methylpiperidine-2-carboxylic acid
CID 114421066

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of (4-chloro-2-fluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 63763941) is (4-chloro-2-fluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for (4-chloro-2-fluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is O=C(c1ccc(Cl)cc1F)N1C2CCC1CC(O)C2.
What is the InChIKey of (4-chloro-2-fluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is OMDGOYHVNUYYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNO2/c15-8-1-4-12(13(16)5-8)14(19)17-9-2-3-10(17)7-11(18)6-9/h1,4-5,9-11,18H,2-3,6-7H2.
What are the key properties of (4-chloro-2-fluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
(4-chloro-2-fluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 283.73 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 63763941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).