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

C23H25Cl2N3O3 — CID 42625290

IUPACN-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-3-hydroxybutyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCCC(O)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2o1
InChIInChI=1S/C23H25Cl2N3O3/c24-18-5-3-6-19(22(18)25)28-12-10-27(11-13-28)15-17(29)8-9-26-23(30)21-14-16-4-1-2-7-20(16)31-21/h1-7,14,17,29H,8-13,15H2,(H,26,30)
InChIKeyDMQIMKFFQYYLKW-UHFFFAOYSA-N
MW462.38 g/mol
LogP4.04
Rot. Bonds7

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

N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-3-hydroxybutyl]-1-benzofuran-2-carboxamide (PubChem CID 42625290) has the molecular formula C23H25Cl2N3O3 and a molecular weight of 462.38 g/mol. Its IUPAC name is N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-3-hydroxybutyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-3-hydroxybutyl]-1-benzofuran-2-carboxamide
PubChem CID42625290
Molecular FormulaC23H25Cl2N3O3
Molecular Weight462.38 g/mol
Exact Mass461.13
IUPAC NameN-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-3-hydroxybutyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCCC(O)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2o1
InChIInChI=1S/C23H25Cl2N3O3/c24-18-5-3-6-19(22(18)25)28-12-10-27(11-13-28)15-17(29)8-9-26-23(30)21-14-16-4-1-2-7-20(16)31-21/h1-7,14,17,29H,8-13,15H2,(H,26,30)
InChIKeyDMQIMKFFQYYLKW-UHFFFAOYSA-N
XLogP4.04
TPSA68.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.38
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butyl)benzofuran-2-carboxamide
CID 9980998
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzofuran-2-carboxamide
CID 10092819
N-(4-(4-(2,3-Dichlorophenyl)piperazin-1-yl)-3-fluorobutyl)-benzofuran-2-carboxamide
CID 53248209
N-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]-3-hydroxybutyl]-1-benzofuran-2-carboxamide
CID 130431317
N-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide
CID 130431325
N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butyl)-7-methoxybenzofuran-2-carboxamide
CID 10254390
N-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide
CID 10873978
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 71456235
N-[4-[4-(2-fluorophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide
CID 118722639
N-[4-[4-(3-chloro-2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide
CID 122183770
N-[4-(4-methylpiperazino)benzyl]-1-benzofuran-2-carboxamide
CID 2738574
5-bromo-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide
CID 10098342

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-3-hydroxybutyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-3-hydroxybutyl]-1-benzofuran-2-carboxamide (CID 42625290) is N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-3-hydroxybutyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-3-hydroxybutyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-3-hydroxybutyl]-1-benzofuran-2-carboxamide is O=C(NCCC(O)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2o1.
What is the InChIKey of N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-3-hydroxybutyl]-1-benzofuran-2-carboxamide?
The InChIKey is DMQIMKFFQYYLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N3O3/c24-18-5-3-6-19(22(18)25)28-12-10-27(11-13-28)15-17(29)8-9-26-23(30)21-14-16-4-1-2-7-20(16)31-21/h1-7,14,17,29H,8-13,15H2,(H,26,30).
What are the key properties of N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-3-hydroxybutyl]-1-benzofuran-2-carboxamide?
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-3-hydroxybutyl]-1-benzofuran-2-carboxamide has a molecular weight of 462.38 g/mol, XLogP of 4.04, 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]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 42625290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).