2-[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide

C16H21BrFN3O2 — CID 18156874

IUPAC2-[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(C(=O)c2ccc(F)cc2Br)CC1
InChIInChI=1S/C16H21BrFN3O2/c1-11(2)19-15(22)10-20-5-7-21(8-6-20)16(23)13-4-3-12(18)9-14(13)17/h3-4,9,11H,5-8,10H2,1-2H3,(H,19,22)
InChIKeyAPLGKFZCMVLSEY-UHFFFAOYSA-N
MW386.27 g/mol
LogP1.87
Rot. Bonds4

About 2-[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 18156874) has the molecular formula C16H21BrFN3O2 and a molecular weight of 386.27 g/mol. Its IUPAC name is 2-[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID18156874
Molecular FormulaC16H21BrFN3O2
Molecular Weight386.27 g/mol
Exact Mass385.08
IUPAC Name2-[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(C(=O)c2ccc(F)cc2Br)CC1
InChIInChI=1S/C16H21BrFN3O2/c1-11(2)19-15(22)10-20-5-7-21(8-6-20)16(23)13-4-3-12(18)9-14(13)17/h3-4,9,11H,5-8,10H2,1-2H3,(H,19,22)
InChIKeyAPLGKFZCMVLSEY-UHFFFAOYSA-N
XLogP1.87
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-4-fluorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 60698441
2-[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]propanenitrile
CID 63337718
2-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156804
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 1439429
2-[4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 55574349
2-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156848
N-[1-(4-bromophenyl)ethyl]-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide
CID 43055545
2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156810
[2-oxo-2-(propan-2-ylamino)ethyl] 2-bromo-4-fluorobenzoate
CID 8837373
(2-bromo-4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 31328462
2-bromo-4-fluoro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 31750922
2-[4-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 39457294

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide (CID 18156874) is 2-[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CCN(C(=O)c2ccc(F)cc2Br)CC1.
What is the InChIKey of 2-[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is APLGKFZCMVLSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrFN3O2/c1-11(2)19-15(22)10-20-5-7-21(8-6-20)16(23)13-4-3-12(18)9-14(13)17/h3-4,9,11H,5-8,10H2,1-2H3,(H,19,22).
What are the key properties of 2-[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 386.27 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 18156874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).