2-(4-bromo-2,6-difluoroanilino)-1-piperidin-1-ylethanone

C13H15BrF2N2O — CID 65467650

IUPAC2-(4-bromo-2,6-difluoroanilino)-1-piperidin-1-ylethanone
SMILESO=C(CNc1c(F)cc(Br)cc1F)N1CCCCC1
InChIInChI=1S/C13H15BrF2N2O/c14-9-6-10(15)13(11(16)7-9)17-8-12(19)18-4-2-1-3-5-18/h6-7,17H,1-5,8H2
InChIKeyOBDOIAPKOJMRFG-UHFFFAOYSA-N
MW333.18 g/mol
LogP3.15
Rot. Bonds3

About 2-(4-bromo-2,6-difluoroanilino)-1-piperidin-1-ylethanone

2-(4-bromo-2,6-difluoroanilino)-1-piperidin-1-ylethanone (PubChem CID 65467650) has the molecular formula C13H15BrF2N2O and a molecular weight of 333.18 g/mol. Its IUPAC name is 2-(4-bromo-2,6-difluoroanilino)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-bromo-2,6-difluoroanilino)-1-piperidin-1-ylethanone
PubChem CID65467650
Molecular FormulaC13H15BrF2N2O
Molecular Weight333.18 g/mol
Exact Mass332.03
IUPAC Name2-(4-bromo-2,6-difluoroanilino)-1-piperidin-1-ylethanone
SMILESO=C(CNc1c(F)cc(Br)cc1F)N1CCCCC1
InChIInChI=1S/C13H15BrF2N2O/c14-9-6-10(15)13(11(16)7-9)17-8-12(19)18-4-2-1-3-5-18/h6-7,17H,1-5,8H2
InChIKeyOBDOIAPKOJMRFG-UHFFFAOYSA-N
XLogP3.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.18
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromo-2,6-difluoroanilino)-1-piperidin-1-ylethanone 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

2-(4-bromo-2,6-dichloroanilino)-1-pyrrolidin-1-ylethanone
CID 28993380
2-(2,3,4,5,6-pentafluoroanilino)-1-pyrrolidin-1-ylethanone
CID 115279721
1-piperidin-1-yl-2-(2,4,5-trifluoroanilino)ethanone
CID 55118306
1-(azepan-1-yl)-2-(5-bromo-4-fluoro-2-methylanilino)ethanone
CID 103238791
2-(2-fluoro-6-methylanilino)-1-piperidin-1-ylethanone
CID 115909087
2-(2-bromo-4-fluoroanilino)-1-piperidin-1-ylethanone
CID 28939346
1-(azepan-1-yl)-2-(3-fluoro-5-methylanilino)ethanone
CID 79055078
2-(2,4-difluoroanilino)-1-piperidin-1-ylethanone
CID 28582835
2-(5-bromo-4-fluoro-2-methylanilino)-1-pyrrolidin-1-ylethanone
CID 103238734
2-(2-amino-4-bromo-5-fluoroanilino)-1-pyrrolidin-1-ylethanone
CID 113405855
3,5-dibromo-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 103908567
2-(2-bromo-5-fluoroanilino)-1-pyrrolidin-1-ylethanone
CID 113319310

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,6-difluoroanilino)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(4-bromo-2,6-difluoroanilino)-1-piperidin-1-ylethanone (CID 65467650) is 2-(4-bromo-2,6-difluoroanilino)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(4-bromo-2,6-difluoroanilino)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(4-bromo-2,6-difluoroanilino)-1-piperidin-1-ylethanone is O=C(CNc1c(F)cc(Br)cc1F)N1CCCCC1.
What is the InChIKey of 2-(4-bromo-2,6-difluoroanilino)-1-piperidin-1-ylethanone?
The InChIKey is OBDOIAPKOJMRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF2N2O/c14-9-6-10(15)13(11(16)7-9)17-8-12(19)18-4-2-1-3-5-18/h6-7,17H,1-5,8H2.
What are the key properties of 2-(4-bromo-2,6-difluoroanilino)-1-piperidin-1-ylethanone?
2-(4-bromo-2,6-difluoroanilino)-1-piperidin-1-ylethanone has a molecular weight of 333.18 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,6-difluoroanilino)-1-piperidin-1-ylethanone is sourced from PubChem (CID 65467650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).