2-[3-(3-chlorobenzoyl)-3-azabicyclo[3.3.1]nonan-9-yl]-N-(furan-2-ylmethyl)acetamide

C22H25ClN2O3 — CID 155874070

IUPAC2-[3-(3-chlorobenzoyl)-3-azabicyclo[3.3.1]nonan-9-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CC1C2CCCC1CN(C(=O)c1cccc(Cl)c1)C2)NCc1ccco1
InChIInChI=1S/C22H25ClN2O3/c23-18-7-2-4-15(10-18)22(27)25-13-16-5-1-6-17(14-25)20(16)11-21(26)24-12-19-8-3-9-28-19/h2-4,7-10,16-17,20H,1,5-6,11-14H2,(H,24,26)
InChIKeyDAYKEJVDWUXWJD-UHFFFAOYSA-N
MW400.91 g/mol
LogP4.13
Rot. Bonds5

About 2-[3-(3-chlorobenzoyl)-3-azabicyclo[3.3.1]nonan-9-yl]-N-(furan-2-ylmethyl)acetamide

2-[3-(3-chlorobenzoyl)-3-azabicyclo[3.3.1]nonan-9-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 155874070) has the molecular formula C22H25ClN2O3 and a molecular weight of 400.91 g/mol. Its IUPAC name is 2-[3-(3-chlorobenzoyl)-3-azabicyclo[3.3.1]nonan-9-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-(3-chlorobenzoyl)-3-azabicyclo[3.3.1]nonan-9-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID155874070
Molecular FormulaC22H25ClN2O3
Molecular Weight400.91 g/mol
Exact Mass400.16
IUPAC Name2-[3-(3-chlorobenzoyl)-3-azabicyclo[3.3.1]nonan-9-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CC1C2CCCC1CN(C(=O)c1cccc(Cl)c1)C2)NCc1ccco1
InChIInChI=1S/C22H25ClN2O3/c23-18-7-2-4-15(10-18)22(27)25-13-16-5-1-6-17(14-25)20(16)11-21(26)24-12-19-8-3-9-28-19/h2-4,7-10,16-17,20H,1,5-6,11-14H2,(H,24,26)
InChIKeyDAYKEJVDWUXWJD-UHFFFAOYSA-N
XLogP4.13
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-(3-chlorobenzoyl)-3-azabicyclo[3.3.1]nonan-9-yl]-N-(furan-2-ylmethyl)acetamide with MolForge

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Related Compounds

2-[3-(cyclopentylmethyl)-3-azabicyclo[3.3.1]nonan-9-yl]-N-(furan-2-ylmethyl)acetamide
CID 155870941
2-[[C-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N-methylcarbonimidoyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 109442875
1-(3,4-difluorobenzoyl)-N-(furan-2-ylmethyl)azetidine-3-carboxamide
CID 56724413
N-(3-chlorophenyl)-5-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330858
2-[4-(3-chlorophenyl)-2-methyl-5-oxopiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 70719179
3-[(3S)-1-benzoylpiperidin-3-yl]-N-(furan-2-ylmethyl)benzamide
CID 92872465
(3-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 63106751
[2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 8635163
2-(azetidin-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 64616126
N-(furan-2-ylmethyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053497
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 79607925
2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 53118948

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chlorobenzoyl)-3-azabicyclo[3.3.1]nonan-9-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-(3-chlorobenzoyl)-3-azabicyclo[3.3.1]nonan-9-yl]-N-(furan-2-ylmethyl)acetamide (CID 155874070) is 2-[3-(3-chlorobenzoyl)-3-azabicyclo[3.3.1]nonan-9-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-(3-chlorobenzoyl)-3-azabicyclo[3.3.1]nonan-9-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-(3-chlorobenzoyl)-3-azabicyclo[3.3.1]nonan-9-yl]-N-(furan-2-ylmethyl)acetamide is O=C(CC1C2CCCC1CN(C(=O)c1cccc(Cl)c1)C2)NCc1ccco1.
What is the InChIKey of 2-[3-(3-chlorobenzoyl)-3-azabicyclo[3.3.1]nonan-9-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is DAYKEJVDWUXWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O3/c23-18-7-2-4-15(10-18)22(27)25-13-16-5-1-6-17(14-25)20(16)11-21(26)24-12-19-8-3-9-28-19/h2-4,7-10,16-17,20H,1,5-6,11-14H2,(H,24,26).
What are the key properties of 2-[3-(3-chlorobenzoyl)-3-azabicyclo[3.3.1]nonan-9-yl]-N-(furan-2-ylmethyl)acetamide?
2-[3-(3-chlorobenzoyl)-3-azabicyclo[3.3.1]nonan-9-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 400.91 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chlorobenzoyl)-3-azabicyclo[3.3.1]nonan-9-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 155874070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).