[1-(4-chlorophenyl)cyclopentyl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone

C18H22ClNO2 — CID 71795942

IUPAC[1-(4-chlorophenyl)cyclopentyl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESO=C(N1C2CCC1COC2)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C18H22ClNO2/c19-14-5-3-13(4-6-14)18(9-1-2-10-18)17(21)20-15-7-8-16(20)12-22-11-15/h3-6,15-16H,1-2,7-12H2
InChIKeyAFCXNPAQFBBIQL-UHFFFAOYSA-N
MW319.83 g/mol
LogP3.54
Rot. Bonds2

About [1-(4-chlorophenyl)cyclopentyl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone

[1-(4-chlorophenyl)cyclopentyl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 71795942) has the molecular formula C18H22ClNO2 and a molecular weight of 319.83 g/mol. Its IUPAC name is [1-(4-chlorophenyl)cyclopentyl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)cyclopentyl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID71795942
Molecular FormulaC18H22ClNO2
Molecular Weight319.83 g/mol
Exact Mass319.13
IUPAC Name[1-(4-chlorophenyl)cyclopentyl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESO=C(N1C2CCC1COC2)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C18H22ClNO2/c19-14-5-3-13(4-6-14)18(9-1-2-10-18)17(21)20-15-7-8-16(20)12-22-11-15/h3-6,15-16H,1-2,7-12H2
InChIKeyAFCXNPAQFBBIQL-UHFFFAOYSA-N
XLogP3.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)cyclopentyl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of [1-(4-chlorophenyl)cyclopentyl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 71795942) is [1-(4-chlorophenyl)cyclopentyl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for [1-(4-chlorophenyl)cyclopentyl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for [1-(4-chlorophenyl)cyclopentyl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone is O=C(N1C2CCC1COC2)C1(c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of [1-(4-chlorophenyl)cyclopentyl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is AFCXNPAQFBBIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO2/c19-14-5-3-13(4-6-14)18(9-1-2-10-18)17(21)20-15-7-8-16(20)12-22-11-15/h3-6,15-16H,1-2,7-12H2.
What are the key properties of [1-(4-chlorophenyl)cyclopentyl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone?
[1-(4-chlorophenyl)cyclopentyl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 319.83 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)cyclopentyl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 71795942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).