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

C23H26Cl3N3O2 — CID 71456235

IUPACN-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2o1
InChIInChI=1S/C23H25Cl2N3O2.ClH/c24-18-7-5-8-19(22(18)25)28-14-12-27(13-15-28)11-4-3-10-26-23(29)21-16-17-6-1-2-9-20(17)30-21;/h1-2,5-9,16H,3-4,10-15H2,(H,26,29);1H
InChIKeyYSNFHQGKNPQAPU-UHFFFAOYSA-N
MW482.84 g/mol
LogP5.49
Rot. Bonds7

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

N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 71456235) has the molecular formula C23H26Cl3N3O2 and a molecular weight of 482.84 g/mol. Its IUPAC name is N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID71456235
Molecular FormulaC23H26Cl3N3O2
Molecular Weight482.84 g/mol
Exact Mass481.11
IUPAC NameN-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2o1
InChIInChI=1S/C23H25Cl2N3O2.ClH/c24-18-7-5-8-19(22(18)25)28-14-12-27(13-15-28)11-4-3-10-26-23(29)21-16-17-6-1-2-9-20(17)30-21;/h1-2,5-9,16H,3-4,10-15H2,(H,26,29);1H
InChIKeyYSNFHQGKNPQAPU-UHFFFAOYSA-N
XLogP5.49
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.84
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide;hydrochloride (CID 71456235) is N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide;hydrochloride is Cl.O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2o1.
What is the InChIKey of N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is YSNFHQGKNPQAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N3O2.ClH/c24-18-7-5-8-19(22(18)25)28-14-12-27(13-15-28)11-4-3-10-26-23(29)21-16-17-6-1-2-9-20(17)30-21;/h1-2,5-9,16H,3-4,10-15H2,(H,26,29);1H.
What are the key properties of N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide;hydrochloride?
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 482.84 g/mol, XLogP of 5.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 71456235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).