2-[4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]piperidin-1-yl]acetamide

C15H19BrFN3O3 — CID 30776260

IUPAC2-[4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(NC(=O)COc2ccc(Br)cc2F)CC1
InChIInChI=1S/C15H19BrFN3O3/c16-10-1-2-13(12(17)7-10)23-9-15(22)19-11-3-5-20(6-4-11)8-14(18)21/h1-2,7,11H,3-6,8-9H2,(H2,18,21)(H,19,22)
InChIKeyUSVLVJVLQVFOCK-UHFFFAOYSA-N
MW388.24 g/mol
LogP1.03
Rot. Bonds6

About 2-[4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]piperidin-1-yl]acetamide

2-[4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]piperidin-1-yl]acetamide (PubChem CID 30776260) has the molecular formula C15H19BrFN3O3 and a molecular weight of 388.24 g/mol. Its IUPAC name is 2-[4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]piperidin-1-yl]acetamide
PubChem CID30776260
Molecular FormulaC15H19BrFN3O3
Molecular Weight388.24 g/mol
Exact Mass387.06
IUPAC Name2-[4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(NC(=O)COc2ccc(Br)cc2F)CC1
InChIInChI=1S/C15H19BrFN3O3/c16-10-1-2-13(12(17)7-10)23-9-15(22)19-11-3-5-20(6-4-11)8-14(18)21/h1-2,7,11H,3-6,8-9H2,(H2,18,21)(H,19,22)
InChIKeyUSVLVJVLQVFOCK-UHFFFAOYSA-N
XLogP1.03
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.24
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-fluorophenoxy)-N-piperidin-4-ylacetamide
CID 119388777
2-[2-(2-aminoethyl)-4-bromophenoxy]-N-cyclopropylacetamide
CID 54931519
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-bromo-2-fluorophenoxy)acetamide;hydrochloride
CID 119457993
2-(4-bromo-2-carbamothioylphenoxy)-N-cyclopropylacetamide
CID 83144814
2-(4-bromo-2-fluorophenoxy)-N-(2-methylpiperidin-4-yl)acetamide
CID 120601363
2-[4-[[2-(2,6-dimethylphenoxy)acetyl]amino]piperidin-1-yl]acetamide
CID 134047526
2-(2-amino-4-bromophenoxy)-N-cycloheptylacetamide
CID 65430153
[2-(cyclopropylamino)-2-oxoethyl] 4-bromo-2-fluorobenzoate
CID 9387808
2-(4-bromo-2-fluorophenoxy)-N-(1-cyclopropylethyl)acetamide
CID 47113835
2-[4-[1-(5-bromo-2-fluorophenyl)ethylamino]piperidin-1-yl]acetamide
CID 81298064
2-(4-bromo-2-ethylphenoxy)-N-cyclododecylacetamide
CID 19201445
2-(2-bromo-4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetamide
CID 24504200

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]piperidin-1-yl]acetamide (CID 30776260) is 2-[4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]piperidin-1-yl]acetamide is NC(=O)CN1CCC(NC(=O)COc2ccc(Br)cc2F)CC1.
What is the InChIKey of 2-[4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]piperidin-1-yl]acetamide?
The InChIKey is USVLVJVLQVFOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFN3O3/c16-10-1-2-13(12(17)7-10)23-9-15(22)19-11-3-5-20(6-4-11)8-14(18)21/h1-2,7,11H,3-6,8-9H2,(H2,18,21)(H,19,22).
What are the key properties of 2-[4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]piperidin-1-yl]acetamide?
2-[4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]piperidin-1-yl]acetamide has a molecular weight of 388.24 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]piperidin-1-yl]acetamide is sourced from PubChem (CID 30776260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).