2-(3-bromo-4-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone

C15H19BrFNO — CID 116568586

IUPAC2-(3-bromo-4-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone
SMILESCCC1(C(=O)Cc2ccc(F)c(Br)c2)CCCNC1
InChIInChI=1S/C15H19BrFNO/c1-2-15(6-3-7-18-10-15)14(19)9-11-4-5-13(17)12(16)8-11/h4-5,8,18H,2-3,6-7,9-10H2,1H3
InChIKeyCSLANVRGEVBYOW-UHFFFAOYSA-N
MW328.22 g/mol
LogP3.48
Rot. Bonds4

About 2-(3-bromo-4-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone

2-(3-bromo-4-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone (PubChem CID 116568586) has the molecular formula C15H19BrFNO and a molecular weight of 328.22 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone
PubChem CID116568586
Molecular FormulaC15H19BrFNO
Molecular Weight328.22 g/mol
Exact Mass327.06
IUPAC Name2-(3-bromo-4-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone
SMILESCCC1(C(=O)Cc2ccc(F)c(Br)c2)CCCNC1
InChIInChI=1S/C15H19BrFNO/c1-2-15(6-3-7-18-10-15)14(19)9-11-4-5-13(17)12(16)8-11/h4-5,8,18H,2-3,6-7,9-10H2,1H3
InChIKeyCSLANVRGEVBYOW-UHFFFAOYSA-N
XLogP3.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.22
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromo-4-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-bromo-4-fluorophenyl)-3-ethylpiperidine-3-carboxamide
CID 104778149
2-(3-bromo-4-fluorophenyl)-1-(1-hydroxycyclopentyl)ethanone
CID 103447608
2-(3-bromothiophen-2-yl)-1-(3-ethylpiperidin-3-yl)ethanone
CID 116568661
1-(3-ethylpiperidin-3-yl)-2-thiophen-3-ylethanone
CID 116568659
2-(3-bromo-4-fluorophenyl)-1-[1-(dimethylamino)cycloheptyl]ethanone
CID 79063369
2-(2-chloro-6-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone
CID 116568506
2-(5-bromo-2-pyridinyl)-1-(3-ethylpiperidin-3-yl)ethanone
CID 116568711
N-(5-chloro-2-fluorophenyl)-3-ethylpiperidine-3-carboxamide
CID 63130400
(2,6-difluoro-3-methylphenyl)-(3-ethylpiperidin-3-yl)methanone
CID 116568708
3-ethyl-N-(2,3,5,6-tetrafluorophenyl)piperidine-3-carboxamide
CID 107641764
N-(2,4-difluorophenyl)-3-ethylpiperidine-3-carboxamide
CID 63132090
N-(4-bromo-2,5-difluorophenyl)-3-ethylpyrrolidine-3-carboxamide
CID 107611749

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone (CID 116568586) is 2-(3-bromo-4-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone is CCC1(C(=O)Cc2ccc(F)c(Br)c2)CCCNC1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone?
The InChIKey is CSLANVRGEVBYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO/c1-2-15(6-3-7-18-10-15)14(19)9-11-4-5-13(17)12(16)8-11/h4-5,8,18H,2-3,6-7,9-10H2,1H3.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone?
2-(3-bromo-4-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone has a molecular weight of 328.22 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone is sourced from PubChem (CID 116568586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).