2-bromo-4-fluoro-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide

C20H23BrFN3O — CID 55694970

IUPAC2-bromo-4-fluoro-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide
SMILESCC(CNC(=O)c1ccc(F)cc1Br)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H23BrFN3O/c1-15(14-23-20(26)18-8-7-16(22)13-19(18)21)24-9-11-25(12-10-24)17-5-3-2-4-6-17/h2-8,13,15H,9-12,14H2,1H3,(H,23,26)
InChIKeyUAKFTWVYMRGWED-UHFFFAOYSA-N
MW420.33 g/mol
LogP3.53
Rot. Bonds5

About 2-bromo-4-fluoro-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide

2-bromo-4-fluoro-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide (PubChem CID 55694970) has the molecular formula C20H23BrFN3O and a molecular weight of 420.33 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide
PubChem CID55694970
Molecular FormulaC20H23BrFN3O
Molecular Weight420.33 g/mol
Exact Mass419.10
IUPAC Name2-bromo-4-fluoro-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide
SMILESCC(CNC(=O)c1ccc(F)cc1Br)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H23BrFN3O/c1-15(14-23-20(26)18-8-7-16(22)13-19(18)21)24-9-11-25(12-10-24)17-5-3-2-4-6-17/h2-8,13,15H,9-12,14H2,1H3,(H,23,26)
InChIKeyUAKFTWVYMRGWED-UHFFFAOYSA-N
XLogP3.53
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.33
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 55694971
3-[(2-bromo-4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 62675482
1,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrazole-4-carboxamide
CID 86989887
2-bromo-4-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 55621618
4-bromo-N-[2-(4-phenylpiperazin-1-yl)propyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56564755
2-bromo-4-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 24686009
1-oxido-N-[2-(4-phenylpiperazin-1-yl)propyl]pyridin-1-ium-2-carboxamide
CID 60511961
1-(2-hydroxyethyl)-3-[2-(4-phenylpiperazin-1-yl)propyl]urea
CID 110894090
4-[(2-bromo-4-fluorobenzoyl)amino]-3-methylbutanoic acid
CID 81064448
2-bromo-4-fluoro-N-(2-methylbutyl)benzamide
CID 62693317
2-bromo-4-fluoro-N-(2-phenylbutyl)benzamide
CID 55391050
2-chloro-4-fluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47031094

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide?
The IUPAC name of 2-bromo-4-fluoro-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide (CID 55694970) is 2-bromo-4-fluoro-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide is CC(CNC(=O)c1ccc(F)cc1Br)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-bromo-4-fluoro-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide?
The InChIKey is UAKFTWVYMRGWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrFN3O/c1-15(14-23-20(26)18-8-7-16(22)13-19(18)21)24-9-11-25(12-10-24)17-5-3-2-4-6-17/h2-8,13,15H,9-12,14H2,1H3,(H,23,26).
What are the key properties of 2-bromo-4-fluoro-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide?
2-bromo-4-fluoro-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide has a molecular weight of 420.33 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide is sourced from PubChem (CID 55694970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).