1-(2-aminocycloheptyl)-2-(5-bromo-2-fluorophenyl)ethanone

C15H19BrFNO — CID 116595335

IUPAC1-(2-aminocycloheptyl)-2-(5-bromo-2-fluorophenyl)ethanone
SMILESNC1CCCCCC1C(=O)Cc1cc(Br)ccc1F
InChIInChI=1S/C15H19BrFNO/c16-11-6-7-13(17)10(8-11)9-15(19)12-4-2-1-3-5-14(12)18/h6-8,12,14H,1-5,9,18H2
InChIKeyLEZIRARBKFXNPC-UHFFFAOYSA-N
MW328.22 g/mol
LogP3.61
Rot. Bonds3

About 1-(2-aminocycloheptyl)-2-(5-bromo-2-fluorophenyl)ethanone

1-(2-aminocycloheptyl)-2-(5-bromo-2-fluorophenyl)ethanone (PubChem CID 116595335) has the molecular formula C15H19BrFNO and a molecular weight of 328.22 g/mol. Its IUPAC name is 1-(2-aminocycloheptyl)-2-(5-bromo-2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-aminocycloheptyl)-2-(5-bromo-2-fluorophenyl)ethanone
PubChem CID116595335
Molecular FormulaC15H19BrFNO
Molecular Weight328.22 g/mol
Exact Mass327.06
IUPAC Name1-(2-aminocycloheptyl)-2-(5-bromo-2-fluorophenyl)ethanone
SMILESNC1CCCCCC1C(=O)Cc1cc(Br)ccc1F
InChIInChI=1S/C15H19BrFNO/c16-11-6-7-13(17)10(8-11)9-15(19)12-4-2-1-3-5-14(12)18/h6-8,12,14H,1-5,9,18H2
InChIKeyLEZIRARBKFXNPC-UHFFFAOYSA-N
XLogP3.61
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.22
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-fluorophenyl)-1-cyclooctylethanone
CID 80602139
1-(2-aminocycloheptyl)-2-(5-bromo-2-methoxyphenyl)ethanone
CID 116595331
1-(2-aminocyclohexyl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 114863391
1-(2-aminocycloheptyl)-2-(3-bromo-5-fluorophenyl)ethanone
CID 116595152
2-(5-bromo-2-fluorophenyl)-1-cyclopropylethanone
CID 62622639
2-(5-bromo-2-fluorophenyl)-1-piperidin-2-ylethanone
CID 116547913
1-(2-aminocyclohexyl)-2-(2,5-dichlorophenyl)ethanone
CID 116579933
1-(2-aminocycloheptyl)-2-(2-chloro-5-fluorophenyl)ethanone
CID 102622181
2-amino-N-(5-bromo-2-fluorophenyl)cyclohexane-1-carboxamide
CID 64824097
1-(2-aminocyclohexyl)-2-(2-bromophenyl)ethanone
CID 116579842
1-(2-aminocycloheptyl)-2-(4-bromothiophen-2-yl)ethanone
CID 116595278
1-(2-aminocycloheptyl)-2-(3-fluorophenyl)ethanone
CID 116595083

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminocycloheptyl)-2-(5-bromo-2-fluorophenyl)ethanone?
The IUPAC name of 1-(2-aminocycloheptyl)-2-(5-bromo-2-fluorophenyl)ethanone (CID 116595335) is 1-(2-aminocycloheptyl)-2-(5-bromo-2-fluorophenyl)ethanone.
What is the SMILES notation for 1-(2-aminocycloheptyl)-2-(5-bromo-2-fluorophenyl)ethanone?
The canonical SMILES for 1-(2-aminocycloheptyl)-2-(5-bromo-2-fluorophenyl)ethanone is NC1CCCCCC1C(=O)Cc1cc(Br)ccc1F.
What is the InChIKey of 1-(2-aminocycloheptyl)-2-(5-bromo-2-fluorophenyl)ethanone?
The InChIKey is LEZIRARBKFXNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO/c16-11-6-7-13(17)10(8-11)9-15(19)12-4-2-1-3-5-14(12)18/h6-8,12,14H,1-5,9,18H2.
What are the key properties of 1-(2-aminocycloheptyl)-2-(5-bromo-2-fluorophenyl)ethanone?
1-(2-aminocycloheptyl)-2-(5-bromo-2-fluorophenyl)ethanone has a molecular weight of 328.22 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminocycloheptyl)-2-(5-bromo-2-fluorophenyl)ethanone is sourced from PubChem (CID 116595335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).