1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(3,4-dichlorophenyl)ethanone

C14H15Cl2NO — CID 116575873

IUPAC1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(3,4-dichlorophenyl)ethanone
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)C1CC2CCC1N2
InChIInChI=1S/C14H15Cl2NO/c15-11-3-1-8(5-12(11)16)6-14(18)10-7-9-2-4-13(10)17-9/h1,3,5,9-10,13,17H,2,4,6-7H2
InChIKeyLFZKMKPNYZMFIZ-UHFFFAOYSA-N
MW284.19 g/mol
LogP3.25
Rot. Bonds3

About 1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(3,4-dichlorophenyl)ethanone

1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(3,4-dichlorophenyl)ethanone (PubChem CID 116575873) has the molecular formula C14H15Cl2NO and a molecular weight of 284.19 g/mol. Its IUPAC name is 1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(3,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(3,4-dichlorophenyl)ethanone
PubChem CID116575873
Molecular FormulaC14H15Cl2NO
Molecular Weight284.19 g/mol
Exact Mass283.05
IUPAC Name1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(3,4-dichlorophenyl)ethanone
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)C1CC2CCC1N2
InChIInChI=1S/C14H15Cl2NO/c15-11-3-1-8(5-12(11)16)6-14(18)10-7-9-2-4-13(10)17-9/h1,3,5,9-10,13,17H,2,4,6-7H2
InChIKeyLFZKMKPNYZMFIZ-UHFFFAOYSA-N
XLogP3.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 116576079
1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 116575981
1-[2-(aminomethyl)cyclohexyl]-2-(3,4-dichlorophenyl)ethanone
CID 116584483
1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 116575965
N-cyclopropyl-2-(3,4-dichlorophenyl)acetamide
CID 2682748
7-azabicyclo[2.2.1]heptan-2-yl-(4-ethylphenyl)methanone
CID 116576133
2-(3,4-dichlorophenyl)-1-(4-ethylcyclohexyl)ethanone
CID 64773768
1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 116576152
2-(3,4-dichlorophenyl)-1-morpholin-3-ylethanone
CID 116576172
2-(3,4-dichlorophenyl)-1-morpholin-2-ylethanone
CID 116561578
2-(3,4-dichlorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
CID 116587940
N-(4-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 83166662

Frequently Asked Questions

What is the IUPAC name of 1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(3,4-dichlorophenyl)ethanone?
The IUPAC name of 1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(3,4-dichlorophenyl)ethanone (CID 116575873) is 1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(3,4-dichlorophenyl)ethanone.
What is the SMILES notation for 1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(3,4-dichlorophenyl)ethanone?
The canonical SMILES for 1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(3,4-dichlorophenyl)ethanone is O=C(Cc1ccc(Cl)c(Cl)c1)C1CC2CCC1N2.
What is the InChIKey of 1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(3,4-dichlorophenyl)ethanone?
The InChIKey is LFZKMKPNYZMFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO/c15-11-3-1-8(5-12(11)16)6-14(18)10-7-9-2-4-13(10)17-9/h1,3,5,9-10,13,17H,2,4,6-7H2.
What are the key properties of 1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(3,4-dichlorophenyl)ethanone?
1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(3,4-dichlorophenyl)ethanone has a molecular weight of 284.19 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(3,4-dichlorophenyl)ethanone is sourced from PubChem (CID 116575873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).