N-(4-bromo-2-fluorophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide

C19H21BrFN3O2 — CID 24588666

IUPACN-(4-bromo-2-fluorophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
SMILESO=C(CCN1CCN(c2ccccc2O)CC1)Nc1ccc(Br)cc1F
InChIInChI=1S/C19H21BrFN3O2/c20-14-5-6-16(15(21)13-14)22-19(26)7-8-23-9-11-24(12-10-23)17-3-1-2-4-18(17)25/h1-6,13,25H,7-12H2,(H,22,26)
InChIKeyRAAHHJGYUHBKTF-UHFFFAOYSA-N
MW422.30 g/mol
LogP3.44
Rot. Bonds5

About N-(4-bromo-2-fluorophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide

N-(4-bromo-2-fluorophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide (PubChem CID 24588666) has the molecular formula C19H21BrFN3O2 and a molecular weight of 422.30 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
PubChem CID24588666
Molecular FormulaC19H21BrFN3O2
Molecular Weight422.30 g/mol
Exact Mass421.08
IUPAC NameN-(4-bromo-2-fluorophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
SMILESO=C(CCN1CCN(c2ccccc2O)CC1)Nc1ccc(Br)cc1F
InChIInChI=1S/C19H21BrFN3O2/c20-14-5-6-16(15(21)13-14)22-19(26)7-8-23-9-11-24(12-10-23)17-3-1-2-4-18(17)25/h1-6,13,25H,7-12H2,(H,22,26)
InChIKeyRAAHHJGYUHBKTF-UHFFFAOYSA-N
XLogP3.44
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.30
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide (CID 24588666) is N-(4-bromo-2-fluorophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide is O=C(CCN1CCN(c2ccccc2O)CC1)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide?
The InChIKey is RAAHHJGYUHBKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrFN3O2/c20-14-5-6-16(15(21)13-14)22-19(26)7-8-23-9-11-24(12-10-23)17-3-1-2-4-18(17)25/h1-6,13,25H,7-12H2,(H,22,26).
What are the key properties of N-(4-bromo-2-fluorophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide?
N-(4-bromo-2-fluorophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide has a molecular weight of 422.30 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 24588666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).