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

C23H25Cl2N3O2 — CID 10873978

IUPACN-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCCCCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1cc2ccccc2o1
InChIInChI=1S/C23H25Cl2N3O2/c24-18-7-8-20(19(25)16-18)28-13-11-27(12-14-28)10-4-3-9-26-23(29)22-15-17-5-1-2-6-21(17)30-22/h1-2,5-8,15-16H,3-4,9-14H2,(H,26,29)
InChIKeyGWZLKJUHKRQBRB-UHFFFAOYSA-N
MW446.38 g/mol
LogP5.07
Rot. Bonds7

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

N-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide (PubChem CID 10873978) has the molecular formula C23H25Cl2N3O2 and a molecular weight of 446.38 g/mol. Its IUPAC name is N-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide
PubChem CID10873978
Molecular FormulaC23H25Cl2N3O2
Molecular Weight446.38 g/mol
Exact Mass445.13
IUPAC NameN-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCCCCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1cc2ccccc2o1
InChIInChI=1S/C23H25Cl2N3O2/c24-18-7-8-20(19(25)16-18)28-13-11-27(12-14-28)10-4-3-9-26-23(29)22-15-17-5-1-2-6-21(17)30-22/h1-2,5-8,15-16H,3-4,9-14H2,(H,26,29)
InChIKeyGWZLKJUHKRQBRB-UHFFFAOYSA-N
XLogP5.07
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.38
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3-chlorophenyl)-N-(4-(morpholinomethyl)phenyl)furan-2-carboxamide
CID 2011756
3-Amino-N-(4-chlorophenyl)-1-benzofuran-2-carboxamide
CID 1083209
3-methyl-N-phenyl-N-(3-(piperidin-1-yl)propyl)benzofuran-2-carboxamide
CID 71452341
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-(3-Cyanophenyl)piperazin-1-yl]butyl]benzo[b]furan-2-carboxamide
CID 11596521
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-3-hydroxybutyl]-1-benzofuran-2-carboxamide
CID 42625290
N-(4-(4-(2,3-Dichlorophenyl)piperazin-1-yl)-3-fluorobutyl)-benzofuran-2-carboxamide
CID 53248209
N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide
CID 57873531
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-methylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 834154

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide (CID 10873978) is N-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide is O=C(NCCCCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1cc2ccccc2o1.
What is the InChIKey of N-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide?
The InChIKey is GWZLKJUHKRQBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N3O2/c24-18-7-8-20(19(25)16-18)28-13-11-27(12-14-28)10-4-3-9-26-23(29)22-15-17-5-1-2-6-21(17)30-22/h1-2,5-8,15-16H,3-4,9-14H2,(H,26,29).
What are the key properties of N-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide?
N-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide has a molecular weight of 446.38 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 10873978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).