N-(2-bromo-4-methylphenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide

C20H21BrFN3O2 — CID 36875427

IUPACN-(2-bromo-4-methylphenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCN(C(=O)c3ccc(F)cc3)CC2)c(Br)c1
InChIInChI=1S/C20H21BrFN3O2/c1-14-2-7-18(17(21)12-14)23-19(26)13-24-8-10-25(11-9-24)20(27)15-3-5-16(22)6-4-15/h2-7,12H,8-11,13H2,1H3,(H,23,26)
InChIKeyVCLQUELYIARJOM-UHFFFAOYSA-N
MW434.31 g/mol
LogP3.29
Rot. Bonds4

About N-(2-bromo-4-methylphenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide

N-(2-bromo-4-methylphenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide (PubChem CID 36875427) has the molecular formula C20H21BrFN3O2 and a molecular weight of 434.31 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide
PubChem CID36875427
Molecular FormulaC20H21BrFN3O2
Molecular Weight434.31 g/mol
Exact Mass433.08
IUPAC NameN-(2-bromo-4-methylphenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCN(C(=O)c3ccc(F)cc3)CC2)c(Br)c1
InChIInChI=1S/C20H21BrFN3O2/c1-14-2-7-18(17(21)12-14)23-19(26)13-24-8-10-25(11-9-24)20(27)15-3-5-16(22)6-4-15/h2-7,12H,8-11,13H2,1H3,(H,23,26)
InChIKeyVCLQUELYIARJOM-UHFFFAOYSA-N
XLogP3.29
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide
CID 17449744
N-(4-fluorophenyl)-2-[4-(3-methylbenzoyl)piperazin-1-yl]acetamide
CID 27849975
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 36875625
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide
CID 46551652
2-[4-(3-bromo-2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 60550834
N-(2-bromo-4-methylphenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27217788
N-(2-bromo-4-methylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266537
2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide
CID 36877900
[4-(2-bromo-4-methylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 113079474
N-(2-bromo-4-methylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923517
2-[4-[(2-bromo-4-methylphenyl)carbamoyl]piperazin-1-yl]acetic acid
CID 61182202
2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)benzamide
CID 36876914

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide (CID 36875427) is N-(2-bromo-4-methylphenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide is Cc1ccc(NC(=O)CN2CCN(C(=O)c3ccc(F)cc3)CC2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide?
The InChIKey is VCLQUELYIARJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrFN3O2/c1-14-2-7-18(17(21)12-14)23-19(26)13-24-8-10-25(11-9-24)20(27)15-3-5-16(22)6-4-15/h2-7,12H,8-11,13H2,1H3,(H,23,26).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide?
N-(2-bromo-4-methylphenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide has a molecular weight of 434.31 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 36875427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).