1-(2-aminocycloheptyl)-2-(3-bromo-5-fluorophenyl)ethanone

C15H19BrFNO — CID 116595152

IUPAC1-(2-aminocycloheptyl)-2-(3-bromo-5-fluorophenyl)ethanone
SMILESNC1CCCCCC1C(=O)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C15H19BrFNO/c16-11-6-10(7-12(17)9-11)8-15(19)13-4-2-1-3-5-14(13)18/h6-7,9,13-14H,1-5,8,18H2
InChIKeyIUPXIXKLBRXPAH-UHFFFAOYSA-N
MW328.22 g/mol
LogP3.61
Rot. Bonds3

About 1-(2-aminocycloheptyl)-2-(3-bromo-5-fluorophenyl)ethanone

1-(2-aminocycloheptyl)-2-(3-bromo-5-fluorophenyl)ethanone (PubChem CID 116595152) has the molecular formula C15H19BrFNO and a molecular weight of 328.22 g/mol. Its IUPAC name is 1-(2-aminocycloheptyl)-2-(3-bromo-5-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-aminocycloheptyl)-2-(3-bromo-5-fluorophenyl)ethanone
PubChem CID116595152
Molecular FormulaC15H19BrFNO
Molecular Weight328.22 g/mol
Exact Mass327.06
IUPAC Name1-(2-aminocycloheptyl)-2-(3-bromo-5-fluorophenyl)ethanone
SMILESNC1CCCCCC1C(=O)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C15H19BrFNO/c16-11-6-10(7-12(17)9-11)8-15(19)13-4-2-1-3-5-14(13)18/h6-7,9,13-14H,1-5,8,18H2
InChIKeyIUPXIXKLBRXPAH-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

1-[2-(aminomethyl)cyclohexyl]-2-(3-bromo-5-fluorophenyl)ethanone
CID 116584544
1-(2-aminocycloheptyl)-2-(3-fluorophenyl)ethanone
CID 116595083
1-(azepan-2-yl)-2-(3-bromo-5-fluorophenyl)ethanone
CID 116582543
1-(2-aminocycloheptyl)-2-(5-bromo-2-fluorophenyl)ethanone
CID 116595335
1-(2-aminocyclopentyl)-2-(3-fluorophenyl)ethanone
CID 116580048
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-5-fluorophenyl)ethanone
CID 115786828
2-(3-bromo-5-fluorophenyl)-1-piperidin-2-ylethanone
CID 116547767
1-(2-aminocycloheptyl)-2-(4-bromothiophen-2-yl)ethanone
CID 116595278
1-(2-aminocyclohexyl)-2-phenylethanone
CID 116579753
1-(2-aminocycloheptyl)-2-(2-chloro-5-fluorophenyl)ethanone
CID 102622181
1-(2-aminocycloheptyl)-2-(5-bromo-2-methoxyphenyl)ethanone
CID 116595331
1-(2-aminocyclohexyl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 116579921

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminocycloheptyl)-2-(3-bromo-5-fluorophenyl)ethanone?
The IUPAC name of 1-(2-aminocycloheptyl)-2-(3-bromo-5-fluorophenyl)ethanone (CID 116595152) is 1-(2-aminocycloheptyl)-2-(3-bromo-5-fluorophenyl)ethanone.
What is the SMILES notation for 1-(2-aminocycloheptyl)-2-(3-bromo-5-fluorophenyl)ethanone?
The canonical SMILES for 1-(2-aminocycloheptyl)-2-(3-bromo-5-fluorophenyl)ethanone is NC1CCCCCC1C(=O)Cc1cc(F)cc(Br)c1.
What is the InChIKey of 1-(2-aminocycloheptyl)-2-(3-bromo-5-fluorophenyl)ethanone?
The InChIKey is IUPXIXKLBRXPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO/c16-11-6-10(7-12(17)9-11)8-15(19)13-4-2-1-3-5-14(13)18/h6-7,9,13-14H,1-5,8,18H2.
What are the key properties of 1-(2-aminocycloheptyl)-2-(3-bromo-5-fluorophenyl)ethanone?
1-(2-aminocycloheptyl)-2-(3-bromo-5-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-(3-bromo-5-fluorophenyl)ethanone is sourced from PubChem (CID 116595152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).