[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone

C16H14BrFN2O3 — CID 39493722

IUPAC[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C16H14BrFN2O3/c17-14-6-5-13(23-14)16(22)20-9-7-19(8-10-20)15(21)11-1-3-12(18)4-2-11/h1-6H,7-10H2
InChIKeyVZMVCBLXINQFIO-UHFFFAOYSA-N
MW381.20 g/mol
LogP2.78
Rot. Bonds2

About [4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone

[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 39493722) has the molecular formula C16H14BrFN2O3 and a molecular weight of 381.20 g/mol. Its IUPAC name is [4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
PubChem CID39493722
Molecular FormulaC16H14BrFN2O3
Molecular Weight381.20 g/mol
Exact Mass380.02
IUPAC Name[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C16H14BrFN2O3/c17-14-6-5-13(23-14)16(22)20-9-7-19(8-10-20)15(21)11-1-3-12(18)4-2-11/h1-6H,7-10H2
InChIKeyVZMVCBLXINQFIO-UHFFFAOYSA-N
XLogP2.78
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.20
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(5-bromofuran-2-carbonyl)-1,4-diazepan-1-yl]-(4-tert-butylphenyl)methanone
CID 108545866
(5-bromofuran-2-yl)-[4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone
CID 20910900
azepan-1-yl-(5-bromofuran-2-yl)methanone
CID 750410
[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
CID 110814815
[4-(5-bromofuran-2-carbonyl)-1,4-diazepan-1-yl]-(4-ethoxyphenyl)methanone
CID 108545851
1-[4-(5-bromofuran-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 60702023
[4-(aminomethyl)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone
CID 119281929
(5-bromofuran-2-yl)-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]methanone
CID 32823800
(5-bromofuran-2-yl)-[4-(3,4,5-trihydroxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108545693
1-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 39492865
(5-bromofuran-2-yl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-1,4-diazepan-1-yl]methanone
CID 91914489
1-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-3-chloropropan-1-one
CID 108568304

Frequently Asked Questions

What is the IUPAC name of [4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone (CID 39493722) is [4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccc(Br)o2)CC1.
What is the InChIKey of [4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is VZMVCBLXINQFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2O3/c17-14-6-5-13(23-14)16(22)20-9-7-19(8-10-20)15(21)11-1-3-12(18)4-2-11/h1-6H,7-10H2.
What are the key properties of [4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 381.20 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 39493722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).