2-(2-bromo-4-fluoroanilino)-1-piperidin-1-ylethanone

C13H16BrFN2O — CID 28939346

IUPAC2-(2-bromo-4-fluoroanilino)-1-piperidin-1-ylethanone
SMILESO=C(CNc1ccc(F)cc1Br)N1CCCCC1
InChIInChI=1S/C13H16BrFN2O/c14-11-8-10(15)4-5-12(11)16-9-13(18)17-6-2-1-3-7-17/h4-5,8,16H,1-3,6-7,9H2
InChIKeyJYMROYPSHZUORE-UHFFFAOYSA-N
MW315.19 g/mol
LogP3.01
Rot. Bonds3

About 2-(2-bromo-4-fluoroanilino)-1-piperidin-1-ylethanone

2-(2-bromo-4-fluoroanilino)-1-piperidin-1-ylethanone (PubChem CID 28939346) has the molecular formula C13H16BrFN2O and a molecular weight of 315.19 g/mol. Its IUPAC name is 2-(2-bromo-4-fluoroanilino)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-bromo-4-fluoroanilino)-1-piperidin-1-ylethanone
PubChem CID28939346
Molecular FormulaC13H16BrFN2O
Molecular Weight315.19 g/mol
Exact Mass314.04
IUPAC Name2-(2-bromo-4-fluoroanilino)-1-piperidin-1-ylethanone
SMILESO=C(CNc1ccc(F)cc1Br)N1CCCCC1
InChIInChI=1S/C13H16BrFN2O/c14-11-8-10(15)4-5-12(11)16-9-13(18)17-6-2-1-3-7-17/h4-5,8,16H,1-3,6-7,9H2
InChIKeyJYMROYPSHZUORE-UHFFFAOYSA-N
XLogP3.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-5-fluoroanilino)-1-pyrrolidin-1-ylethanone
CID 113319310
2-(2,4-difluoroanilino)-1-piperidin-1-ylethanone
CID 28582835
2-(2-bromo-4-chloroanilino)-1-piperidin-1-ylethanone
CID 80979229
5-fluoro-2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile
CID 79771129
1-(azepan-1-yl)-2-(5-bromo-4-fluoro-2-methylanilino)ethanone
CID 103238791
1-[2-(2-bromo-5-fluoroanilino)acetyl]piperidine-4-carboxylic acid
CID 107636652
2-(2-fluoro-4-methylanilino)-1-piperidin-1-ylethanone
CID 28826126
1-(azepan-1-yl)-2-(4-bromo-2-methylanilino)ethanone
CID 28572456
2-(2-bromo-4-fluoroanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 43119481
1-piperidin-1-yl-2-(2,4,5-trifluoroanilino)ethanone
CID 55118306
2-(4-chloro-2-fluoroanilino)-1-pyrrolidin-1-ylethanone
CID 60631356
2-(5-bromo-4-fluoro-2-methylanilino)-1-pyrrolidin-1-ylethanone
CID 103238734

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluoroanilino)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(2-bromo-4-fluoroanilino)-1-piperidin-1-ylethanone (CID 28939346) is 2-(2-bromo-4-fluoroanilino)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(2-bromo-4-fluoroanilino)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(2-bromo-4-fluoroanilino)-1-piperidin-1-ylethanone is O=C(CNc1ccc(F)cc1Br)N1CCCCC1.
What is the InChIKey of 2-(2-bromo-4-fluoroanilino)-1-piperidin-1-ylethanone?
The InChIKey is JYMROYPSHZUORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O/c14-11-8-10(15)4-5-12(11)16-9-13(18)17-6-2-1-3-7-17/h4-5,8,16H,1-3,6-7,9H2.
What are the key properties of 2-(2-bromo-4-fluoroanilino)-1-piperidin-1-ylethanone?
2-(2-bromo-4-fluoroanilino)-1-piperidin-1-ylethanone has a molecular weight of 315.19 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluoroanilino)-1-piperidin-1-ylethanone is sourced from PubChem (CID 28939346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).