N-[9-[(4-chlorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]acetamide

C16H21ClN2O2 — CID 20522626

IUPACN-[9-[(4-chlorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]acetamide
SMILESCC(=O)NC1CC2COCC(C1)N2Cc1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2O2/c1-11(20)18-14-6-15-9-21-10-16(7-14)19(15)8-12-2-4-13(17)5-3-12/h2-5,14-16H,6-10H2,1H3,(H,18,20)
InChIKeyJFLCXLMZKZKUNC-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.21
Rot. Bonds3

About N-[9-[(4-chlorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]acetamide

N-[9-[(4-chlorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]acetamide (PubChem CID 20522626) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is N-[9-[(4-chlorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]acetamide.

Molecular Properties

Compound NameN-[9-[(4-chlorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]acetamide
PubChem CID20522626
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC NameN-[9-[(4-chlorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]acetamide
SMILESCC(=O)NC1CC2COCC(C1)N2Cc1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2O2/c1-11(20)18-14-6-15-9-21-10-16(7-14)19(15)8-12-2-4-13(17)5-3-12/h2-5,14-16H,6-10H2,1H3,(H,18,20)
InChIKeyJFLCXLMZKZKUNC-UHFFFAOYSA-N
XLogP2.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[9-[(4-chlorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]acetamide?
The IUPAC name of N-[9-[(4-chlorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]acetamide (CID 20522626) is N-[9-[(4-chlorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]acetamide.
What is the SMILES notation for N-[9-[(4-chlorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]acetamide?
The canonical SMILES for N-[9-[(4-chlorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]acetamide is CC(=O)NC1CC2COCC(C1)N2Cc1ccc(Cl)cc1.
What is the InChIKey of N-[9-[(4-chlorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]acetamide?
The InChIKey is JFLCXLMZKZKUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-11(20)18-14-6-15-9-21-10-16(7-14)19(15)8-12-2-4-13(17)5-3-12/h2-5,14-16H,6-10H2,1H3,(H,18,20).
What are the key properties of N-[9-[(4-chlorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]acetamide?
N-[9-[(4-chlorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]acetamide has a molecular weight of 308.81 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-[(4-chlorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]acetamide is sourced from PubChem (CID 20522626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).