N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-3-hydroxybutyl]-5-fluoro-1-benzofuran-2-carboxamide

C23H24Cl2FN3O3 — CID 25141537

IUPACN-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-3-hydroxybutyl]-5-fluoro-1-benzofuran-2-carboxamide
SMILESO=C(NCCC(O)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C23H24Cl2FN3O3/c24-18-2-1-3-19(22(18)25)29-10-8-28(9-11-29)14-17(30)6-7-27-23(31)21-13-15-12-16(26)4-5-20(15)32-21/h1-5,12-13,17,30H,6-11,14H2,(H,27,31)
InChIKeyIQOWTUUUJRSSIY-UHFFFAOYSA-N
MW480.37 g/mol
LogP4.18
Rot. Bonds7

About N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-3-hydroxybutyl]-5-fluoro-1-benzofuran-2-carboxamide

N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-3-hydroxybutyl]-5-fluoro-1-benzofuran-2-carboxamide (PubChem CID 25141537) has the molecular formula C23H24Cl2FN3O3 and a molecular weight of 480.37 g/mol. Its IUPAC name is N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-3-hydroxybutyl]-5-fluoro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-3-hydroxybutyl]-5-fluoro-1-benzofuran-2-carboxamide
PubChem CID25141537
Molecular FormulaC23H24Cl2FN3O3
Molecular Weight480.37 g/mol
Exact Mass479.12
IUPAC NameN-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-3-hydroxybutyl]-5-fluoro-1-benzofuran-2-carboxamide
SMILESO=C(NCCC(O)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C23H24Cl2FN3O3/c24-18-2-1-3-19(22(18)25)29-10-8-28(9-11-29)14-17(30)6-7-27-23(31)21-13-15-12-16(26)4-5-20(15)32-21/h1-5,12-13,17,30H,6-11,14H2,(H,27,31)
InChIKeyIQOWTUUUJRSSIY-UHFFFAOYSA-N
XLogP4.18
TPSA68.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.37
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propan-2-ol
CID 58358793
N-[(E)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-2-enyl]-3-fluorobenzamide
CID 11396088
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-6-fluoro-2H-chromene-3-carboxamide
CID 59178312
5-chloro-N-[4-[(2S)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;sulfane
CID 163457714
5-chloro-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide
CID 58945427
5-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide
CID 111425569
4-(2,3-dichlorophenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107696
N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]acetamide
CID 59671452
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-1-(2-methoxyphenyl)-2,5-dimethylimidazole-4-carboxamide
CID 54576159
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-5-methyl-1,2-diphenylimidazole-4-carboxamide;dihydrochloride
CID 54579231
3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 42858807
1-(1,3-benzodioxol-5-yl)-N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dimethylimidazole-4-carboxamide
CID 67494670

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-3-hydroxybutyl]-5-fluoro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-3-hydroxybutyl]-5-fluoro-1-benzofuran-2-carboxamide (CID 25141537) is N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-3-hydroxybutyl]-5-fluoro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-3-hydroxybutyl]-5-fluoro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-3-hydroxybutyl]-5-fluoro-1-benzofuran-2-carboxamide is O=C(NCCC(O)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(F)ccc2o1.
What is the InChIKey of N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-3-hydroxybutyl]-5-fluoro-1-benzofuran-2-carboxamide?
The InChIKey is IQOWTUUUJRSSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2FN3O3/c24-18-2-1-3-19(22(18)25)29-10-8-28(9-11-29)14-17(30)6-7-27-23(31)21-13-15-12-16(26)4-5-20(15)32-21/h1-5,12-13,17,30H,6-11,14H2,(H,27,31).
What are the key properties of N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-3-hydroxybutyl]-5-fluoro-1-benzofuran-2-carboxamide?
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-3-hydroxybutyl]-5-fluoro-1-benzofuran-2-carboxamide has a molecular weight of 480.37 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-3-hydroxybutyl]-5-fluoro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 25141537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).