2-bromo-4-fluoro-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide

C18H19BrFN3O — CID 16563640

IUPAC2-bromo-4-fluoro-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCN1CCN(c2ccccc2NC(=O)c2ccc(F)cc2Br)CC1
InChIInChI=1S/C18H19BrFN3O/c1-22-8-10-23(11-9-22)17-5-3-2-4-16(17)21-18(24)14-7-6-13(20)12-15(14)19/h2-7,12H,8-11H2,1H3,(H,21,24)
InChIKeyLHSLADPQRRBNEB-UHFFFAOYSA-N
MW392.27 g/mol
LogP3.59
Rot. Bonds3

About 2-bromo-4-fluoro-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide

2-bromo-4-fluoro-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide (PubChem CID 16563640) has the molecular formula C18H19BrFN3O and a molecular weight of 392.27 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
PubChem CID16563640
Molecular FormulaC18H19BrFN3O
Molecular Weight392.27 g/mol
Exact Mass391.07
IUPAC Name2-bromo-4-fluoro-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCN1CCN(c2ccccc2NC(=O)c2ccc(F)cc2Br)CC1
InChIInChI=1S/C18H19BrFN3O/c1-22-8-10-23(11-9-22)17-5-3-2-4-16(17)21-18(24)14-7-6-13(20)12-15(14)19/h2-7,12H,8-11H2,1H3,(H,21,24)
InChIKeyLHSLADPQRRBNEB-UHFFFAOYSA-N
XLogP3.59
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.27
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 935026
3,5-dichloro-2-iodo-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 16557452
2,4-difluoro-N-(2-morpholin-4-ylphenyl)benzamide
CID 3662242
2-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-5-methylsulfanylbenzamide
CID 8834278
2-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-fluorobenzamide
CID 35355092
2-bromo-N-[2-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 39737929
2,5-difluoro-N-(2-morpholin-4-ylphenyl)benzamide
CID 78803357
N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-(4-methylpiperazin-1-yl)benzamide
CID 166210339
2-bromo-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 9192994
5-fluoro-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-iodobenzamide
CID 86877934
2-bromo-4-fluoro-N-phenylbenzamide
CID 17461201
2-bromo-N-(2,5-difluorophenyl)-4-fluorobenzamide
CID 24710516

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 2-bromo-4-fluoro-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide (CID 16563640) is 2-bromo-4-fluoro-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide is CN1CCN(c2ccccc2NC(=O)c2ccc(F)cc2Br)CC1.
What is the InChIKey of 2-bromo-4-fluoro-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is LHSLADPQRRBNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFN3O/c1-22-8-10-23(11-9-22)17-5-3-2-4-16(17)21-18(24)14-7-6-13(20)12-15(14)19/h2-7,12H,8-11H2,1H3,(H,21,24).
What are the key properties of 2-bromo-4-fluoro-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide?
2-bromo-4-fluoro-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 392.27 g/mol, XLogP of 3.59, 3 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-methylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 16563640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).