N-[1-(4-bromophenyl)ethyl]-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide

C21H23BrFN3O2 — CID 43055545

IUPACN-[1-(4-bromophenyl)ethyl]-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide
SMILESCC(NC(=O)CN1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C21H23BrFN3O2/c1-15(16-2-6-18(22)7-3-16)24-20(27)14-25-10-12-26(13-11-25)21(28)17-4-8-19(23)9-5-17/h2-9,15H,10-14H2,1H3,(H,24,27)
InChIKeyZZGZJMCBOPFHDD-UHFFFAOYSA-N
MW448.34 g/mol
LogP3.22
Rot. Bonds5

About N-[1-(4-bromophenyl)ethyl]-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide

N-[1-(4-bromophenyl)ethyl]-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide (PubChem CID 43055545) has the molecular formula C21H23BrFN3O2 and a molecular weight of 448.34 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide
PubChem CID43055545
Molecular FormulaC21H23BrFN3O2
Molecular Weight448.34 g/mol
Exact Mass447.10
IUPAC NameN-[1-(4-bromophenyl)ethyl]-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide
SMILESCC(NC(=O)CN1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C21H23BrFN3O2/c1-15(16-2-6-18(22)7-3-16)24-20(27)14-25-10-12-26(13-11-25)21(28)17-4-8-19(23)9-5-17/h2-9,15H,10-14H2,1H3,(H,24,27)
InChIKeyZZGZJMCBOPFHDD-UHFFFAOYSA-N
XLogP3.22
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-bromophenyl)ethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 8704016
N-[1-(4-bromophenyl)ethyl]-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 60502169
2-[4,7-bis[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide
CID 100946771
N-[1-(4-fluorophenyl)ethyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 51170789
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-morpholin-4-ylacetamide
CID 2534176
2-(4-benzoylpiperazin-1-yl)-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 9223336
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(1,4-diazepan-1-yl)acetamide
CID 81359839
[4-[(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 46100068
2-(4-benzoylpiperazin-1-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 9223420
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8528890
2-[4-(cyclohexylmethyl)piperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 86825537
N-[1-(4-fluorophenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 4779861

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide (CID 43055545) is N-[1-(4-bromophenyl)ethyl]-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide is CC(NC(=O)CN1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide?
The InChIKey is ZZGZJMCBOPFHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrFN3O2/c1-15(16-2-6-18(22)7-3-16)24-20(27)14-25-10-12-26(13-11-25)21(28)17-4-8-19(23)9-5-17/h2-9,15H,10-14H2,1H3,(H,24,27).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide?
N-[1-(4-bromophenyl)ethyl]-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide has a molecular weight of 448.34 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 43055545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).