N-(2-chlorophenyl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide

C15H20ClN3O — CID 81491367

IUPACN-(2-chlorophenyl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide
SMILESO=C(CN1CCC2CCC(C1)N2)Nc1ccccc1Cl
InChIInChI=1S/C15H20ClN3O/c16-13-3-1-2-4-14(13)18-15(20)10-19-8-7-11-5-6-12(9-19)17-11/h1-4,11-12,17H,5-10H2,(H,18,20)
InChIKeyZRSAEKMPUTZTMA-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.10
Rot. Bonds3

About N-(2-chlorophenyl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide

N-(2-chlorophenyl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide (PubChem CID 81491367) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide
PubChem CID81491367
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC NameN-(2-chlorophenyl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide
SMILESO=C(CN1CCC2CCC(C1)N2)Nc1ccccc1Cl
InChIInChI=1S/C15H20ClN3O/c16-13-3-1-2-4-14(13)18-15(20)10-19-8-7-11-5-6-12(9-19)17-11/h1-4,11-12,17H,5-10H2,(H,18,20)
InChIKeyZRSAEKMPUTZTMA-UHFFFAOYSA-N
XLogP2.10
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,6-dichlorophenyl)acetamide
CID 81495475
N-(2-chloro-3-pyridinyl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide
CID 81490607
N-[(2-chlorophenyl)methyl]-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide
CID 81495926
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,3-dimethylphenyl)acetamide
CID 81495718
methyl 1-[2-(2-chloroanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 47287034
N-(5-chloro-2-methoxyphenyl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide
CID 119927614
N-(2-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 65450158
2-[(3R)-3-aminopiperidin-1-yl]-N-(2-chlorophenyl)acetamide
CID 102977528
2-(4-amino-3-methylpiperidin-1-yl)-N-(2-chlorophenyl)acetamide;hydrochloride
CID 119925180
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
N-(2-chlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62546007

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide (CID 81491367) is N-(2-chlorophenyl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide is O=C(CN1CCC2CCC(C1)N2)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide?
The InChIKey is ZRSAEKMPUTZTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c16-13-3-1-2-4-14(13)18-15(20)10-19-8-7-11-5-6-12(9-19)17-11/h1-4,11-12,17H,5-10H2,(H,18,20).
What are the key properties of N-(2-chlorophenyl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide?
N-(2-chlorophenyl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide has a molecular weight of 293.80 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide is sourced from PubChem (CID 81491367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).