1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-(4-chlorophenyl)ethanone

C15H18ClNO — CID 116580665

IUPAC1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-(4-chlorophenyl)ethanone
SMILESNC1C2CCC(C2)C1C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H18ClNO/c16-12-5-1-9(2-6-12)7-13(18)14-10-3-4-11(8-10)15(14)17/h1-2,5-6,10-11,14-15H,3-4,7-8,17H2
InChIKeyZYIDZRJUBNVFOD-UHFFFAOYSA-N
MW263.77 g/mol
LogP2.83
Rot. Bonds3

About 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-(4-chlorophenyl)ethanone

1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-(4-chlorophenyl)ethanone (PubChem CID 116580665) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-(4-chlorophenyl)ethanone.

Molecular Properties

Compound Name1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-(4-chlorophenyl)ethanone
PubChem CID116580665
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-(4-chlorophenyl)ethanone
SMILESNC1C2CCC(C2)C1C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H18ClNO/c16-12-5-1-9(2-6-12)7-13(18)14-10-3-4-11(8-10)15(14)17/h1-2,5-6,10-11,14-15H,3-4,7-8,17H2
InChIKeyZYIDZRJUBNVFOD-UHFFFAOYSA-N
XLogP2.83
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-(4-chlorophenyl)ethanone?
The IUPAC name of 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-(4-chlorophenyl)ethanone (CID 116580665) is 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-(4-chlorophenyl)ethanone.
What is the SMILES notation for 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-(4-chlorophenyl)ethanone?
The canonical SMILES for 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-(4-chlorophenyl)ethanone is NC1C2CCC(C2)C1C(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-(4-chlorophenyl)ethanone?
The InChIKey is ZYIDZRJUBNVFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c16-12-5-1-9(2-6-12)7-13(18)14-10-3-4-11(8-10)15(14)17/h1-2,5-6,10-11,14-15H,3-4,7-8,17H2.
What are the key properties of 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-(4-chlorophenyl)ethanone?
1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-(4-chlorophenyl)ethanone has a molecular weight of 263.77 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-(4-chlorophenyl)ethanone is sourced from PubChem (CID 116580665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).