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

C18H19BrFN3O — CID 988159

IUPACN-(4-bromophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccc(Br)cc1
InChIInChI=1S/C18H19BrFN3O/c19-14-1-5-16(6-2-14)21-18(24)13-22-9-11-23(12-10-22)17-7-3-15(20)4-8-17/h1-8H,9-13H2,(H,21,24)
InChIKeyYQRGANWETOWARH-UHFFFAOYSA-N
MW392.27 g/mol
LogP3.35
Rot. Bonds4

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

N-(4-bromophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide (PubChem CID 988159) has the molecular formula C18H19BrFN3O and a molecular weight of 392.27 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
PubChem CID988159
Molecular FormulaC18H19BrFN3O
Molecular Weight392.27 g/mol
Exact Mass391.07
IUPAC NameN-(4-bromophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccc(Br)cc1
InChIInChI=1S/C18H19BrFN3O/c19-14-1-5-16(6-2-14)21-18(24)13-22-9-11-23(12-10-22)17-7-3-15(20)4-8-17/h1-8H,9-13H2,(H,21,24)
InChIKeyYQRGANWETOWARH-UHFFFAOYSA-N
XLogP3.35
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.27
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide (CID 988159) is N-(4-bromophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide is O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The InChIKey is YQRGANWETOWARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFN3O/c19-14-1-5-16(6-2-14)21-18(24)13-22-9-11-23(12-10-22)17-7-3-15(20)4-8-17/h1-8H,9-13H2,(H,21,24).
What are the key properties of N-(4-bromophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
N-(4-bromophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide has a molecular weight of 392.27 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 988159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).