1-(3-amino-1-bicyclo[1.1.1]pentanyl)-3-(4-chlorophenoxy)propan-2-one

C14H16ClNO2 — CID 161322411

IUPAC1-(3-amino-1-bicyclo[1.1.1]pentanyl)-3-(4-chlorophenoxy)propan-2-one
SMILESNC12CC(CC(=O)COc3ccc(Cl)cc3)(C1)C2
InChIInChI=1S/C14H16ClNO2/c15-10-1-3-12(4-2-10)18-6-11(17)5-13-7-14(16,8-13)9-13/h1-4H,5-9,16H2
InChIKeyAUKRUMQKZAZHDU-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.56
Rot. Bonds5

About 1-(3-amino-1-bicyclo[1.1.1]pentanyl)-3-(4-chlorophenoxy)propan-2-one

1-(3-amino-1-bicyclo[1.1.1]pentanyl)-3-(4-chlorophenoxy)propan-2-one (PubChem CID 161322411) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is 1-(3-amino-1-bicyclo[1.1.1]pentanyl)-3-(4-chlorophenoxy)propan-2-one.

Molecular Properties

Compound Name1-(3-amino-1-bicyclo[1.1.1]pentanyl)-3-(4-chlorophenoxy)propan-2-one
PubChem CID161322411
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name1-(3-amino-1-bicyclo[1.1.1]pentanyl)-3-(4-chlorophenoxy)propan-2-one
SMILESNC12CC(CC(=O)COc3ccc(Cl)cc3)(C1)C2
InChIInChI=1S/C14H16ClNO2/c15-10-1-3-12(4-2-10)18-6-11(17)5-13-7-14(16,8-13)9-13/h1-4H,5-9,16H2
InChIKeyAUKRUMQKZAZHDU-UHFFFAOYSA-N
XLogP2.56
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-amino-1-bicyclo[1.1.1]pentanyl)-3-(4-chlorophenoxy)propan-2-one with MolForge

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Related Compounds

1-(4-chlorophenoxy)-3-[3-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one
CID 159233798
N-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-chlorophenoxy)acetamide
CID 155254690
2-(4-chlorophenoxy)-N-oxoacetamide
CID 123460876
[(3-amino-1-bicyclo[1.1.1]pentanyl)-[2-(4-chlorophenoxy)acetyl]amino] 2,2,2-trifluoroacetate
CID 153325860
1-(4-chlorophenoxy)pent-4-en-2-one
CID 105083082
1-(4-chlorophenoxy)-3-cyclopentylpropan-2-one
CID 105092134
1-(4-chlorophenoxy)-3-dimethoxyphosphorylpropan-2-one
CID 22151512
bis(2-(4-chlorophenoxy)acetic acid);zinc
CID 11201418
2-(4-chlorophenoxy)acetyl iodide
CID 134255037
1-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-methoxyethanone
CID 108536476
(4-chlorophenyl) 2-[4-[2-(4-chlorophenoxy)-2-oxoethoxy]phenoxy]acetate
CID 10503577
disodium bis(2-(4-chlorophenoxy)acetate)
CID 141454820

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1-bicyclo[1.1.1]pentanyl)-3-(4-chlorophenoxy)propan-2-one?
The IUPAC name of 1-(3-amino-1-bicyclo[1.1.1]pentanyl)-3-(4-chlorophenoxy)propan-2-one (CID 161322411) is 1-(3-amino-1-bicyclo[1.1.1]pentanyl)-3-(4-chlorophenoxy)propan-2-one.
What is the SMILES notation for 1-(3-amino-1-bicyclo[1.1.1]pentanyl)-3-(4-chlorophenoxy)propan-2-one?
The canonical SMILES for 1-(3-amino-1-bicyclo[1.1.1]pentanyl)-3-(4-chlorophenoxy)propan-2-one is NC12CC(CC(=O)COc3ccc(Cl)cc3)(C1)C2.
What is the InChIKey of 1-(3-amino-1-bicyclo[1.1.1]pentanyl)-3-(4-chlorophenoxy)propan-2-one?
The InChIKey is AUKRUMQKZAZHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c15-10-1-3-12(4-2-10)18-6-11(17)5-13-7-14(16,8-13)9-13/h1-4H,5-9,16H2.
What are the key properties of 1-(3-amino-1-bicyclo[1.1.1]pentanyl)-3-(4-chlorophenoxy)propan-2-one?
1-(3-amino-1-bicyclo[1.1.1]pentanyl)-3-(4-chlorophenoxy)propan-2-one has a molecular weight of 265.74 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1-bicyclo[1.1.1]pentanyl)-3-(4-chlorophenoxy)propan-2-one is sourced from PubChem (CID 161322411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).