2-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]-N-cyclopropylpropanamide

C17H21BrFN3O2 — CID 51299634

IUPAC2-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)N1CCN(C(=O)c2cc(Br)ccc2F)CC1
InChIInChI=1S/C17H21BrFN3O2/c1-11(16(23)20-13-3-4-13)21-6-8-22(9-7-21)17(24)14-10-12(18)2-5-15(14)19/h2,5,10-11,13H,3-4,6-9H2,1H3,(H,20,23)
InChIKeyPNLHLAGRYOQONY-UHFFFAOYSA-N
MW398.28 g/mol
LogP2.01
Rot. Bonds4

About 2-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]-N-cyclopropylpropanamide

2-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]-N-cyclopropylpropanamide (PubChem CID 51299634) has the molecular formula C17H21BrFN3O2 and a molecular weight of 398.28 g/mol. Its IUPAC name is 2-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]-N-cyclopropylpropanamide
PubChem CID51299634
Molecular FormulaC17H21BrFN3O2
Molecular Weight398.28 g/mol
Exact Mass397.08
IUPAC Name2-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)N1CCN(C(=O)c2cc(Br)ccc2F)CC1
InChIInChI=1S/C17H21BrFN3O2/c1-11(16(23)20-13-3-4-13)21-6-8-22(9-7-21)17(24)14-10-12(18)2-5-15(14)19/h2,5,10-11,13H,3-4,6-9H2,1H3,(H,20,23)
InChIKeyPNLHLAGRYOQONY-UHFFFAOYSA-N
XLogP2.01
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]propanamide
CID 51329108
2-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]propanoic acid
CID 62317604
2-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]propanenitrile
CID 63337633
N-cyclopropyl-2-[4-(5-fluoro-2-methylbenzoyl)piperazin-1-yl]propanamide
CID 86916677
(5-bromo-2-fluorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119561523
(5-bromo-2-fluorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 113241723
2-[4-(2-aminobenzoyl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 119946341
5-bromo-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-fluorobenzamide
CID 113407761
azocan-1-yl-(5-bromo-2-fluorophenyl)methanone
CID 28801538
(5-bromo-2-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 55174313
(4-bromo-2-fluorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 43420911
2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 51301703

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]-N-cyclopropylpropanamide?
The IUPAC name of 2-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]-N-cyclopropylpropanamide (CID 51299634) is 2-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]-N-cyclopropylpropanamide is CC(C(=O)NC1CC1)N1CCN(C(=O)c2cc(Br)ccc2F)CC1.
What is the InChIKey of 2-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]-N-cyclopropylpropanamide?
The InChIKey is PNLHLAGRYOQONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrFN3O2/c1-11(16(23)20-13-3-4-13)21-6-8-22(9-7-21)17(24)14-10-12(18)2-5-15(14)19/h2,5,10-11,13H,3-4,6-9H2,1H3,(H,20,23).
What are the key properties of 2-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]-N-cyclopropylpropanamide?
2-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]-N-cyclopropylpropanamide has a molecular weight of 398.28 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]-N-cyclopropylpropanamide is sourced from PubChem (CID 51299634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).