N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide

C24H28FN3O2 — CID 86877247

IUPACN-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)NC(C)c3cc(F)ccc3N3CCN(C)CC3)coc2c1
InChIInChI=1S/C24H28FN3O2/c1-16-4-6-20-18(15-30-23(20)12-16)13-24(29)26-17(2)21-14-19(25)5-7-22(21)28-10-8-27(3)9-11-28/h4-7,12,14-15,17H,8-11,13H2,1-3H3,(H,26,29)
InChIKeyINFDSJIIJXVONH-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.05
Rot. Bonds5

About N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide

N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide (PubChem CID 86877247) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
PubChem CID86877247
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC NameN-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)NC(C)c3cc(F)ccc3N3CCN(C)CC3)coc2c1
InChIInChI=1S/C24H28FN3O2/c1-16-4-6-20-18(15-30-23(20)12-16)13-24(29)26-17(2)21-14-19(25)5-7-22(21)28-10-8-27(3)9-11-28/h4-7,12,14-15,17H,8-11,13H2,1-3H3,(H,26,29)
InChIKeyINFDSJIIJXVONH-UHFFFAOYSA-N
XLogP4.05
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-(4-fluorophenyl)acetamide
CID 97088185
N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-4-(methylamino)butanamide
CID 119902788
2-(6-methyl-1-benzofuran-3-yl)-N-[1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide
CID 46966909
1-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 110922301
(2R)-N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-methylsulfanylpropanamide
CID 94818363
N-[(1R)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-3-imidazol-1-ylpropanamide
CID 95302428
N-[1-(2,4-difluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 51150333
N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]pyridine-4-carboxamide
CID 51105766
N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]pyridine-2-carboxamide
CID 94816152
N'-[2-(4-fluorophenoxy)acetyl]-2-(6-methyl-1-benzofuran-3-yl)acetohydrazide
CID 18158747
N-[(1R)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-6-methylpyridine-3-carboxamide
CID 95689792
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone
CID 18872277

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide (CID 86877247) is N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide is Cc1ccc2c(CC(=O)NC(C)c3cc(F)ccc3N3CCN(C)CC3)coc2c1.
What is the InChIKey of N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The InChIKey is INFDSJIIJXVONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2/c1-16-4-6-20-18(15-30-23(20)12-16)13-24(29)26-17(2)21-14-19(25)5-7-22(21)28-10-8-27(3)9-11-28/h4-7,12,14-15,17H,8-11,13H2,1-3H3,(H,26,29).
What are the key properties of N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide?
N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide has a molecular weight of 409.51 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 86877247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).