N-[2-(3,4-dichlorophenyl)-4-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylbutyl]-N-methylbenzamide

C30H32Cl2N2O2 — CID 19366950

IUPACN-[2-(3,4-dichlorophenyl)-4-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylbutyl]-N-methylbenzamide
SMILESCN(CC(CCN1CCC2(CC1)COc1ccccc12)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
InChIInChI=1S/C30H32Cl2N2O2/c1-33(29(35)22-7-3-2-4-8-22)20-24(23-11-12-26(31)27(32)19-23)13-16-34-17-14-30(15-18-34)21-36-28-10-6-5-9-25(28)30/h2-12,19,24H,13-18,20-21H2,1H3
InChIKeyRLLAYCXNHRFXDH-UHFFFAOYSA-N
MW523.50 g/mol
LogP6.67
Rot. Bonds7

About N-[2-(3,4-dichlorophenyl)-4-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylbutyl]-N-methylbenzamide

N-[2-(3,4-dichlorophenyl)-4-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylbutyl]-N-methylbenzamide (PubChem CID 19366950) has the molecular formula C30H32Cl2N2O2 and a molecular weight of 523.50 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)-4-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylbutyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)-4-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylbutyl]-N-methylbenzamide
PubChem CID19366950
Molecular FormulaC30H32Cl2N2O2
Molecular Weight523.50 g/mol
Exact Mass522.18
IUPAC NameN-[2-(3,4-dichlorophenyl)-4-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylbutyl]-N-methylbenzamide
SMILESCN(CC(CCN1CCC2(CC1)COc1ccccc12)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
InChIInChI=1S/C30H32Cl2N2O2/c1-33(29(35)22-7-3-2-4-8-22)20-24(23-11-12-26(31)27(32)19-23)13-16-34-17-14-30(15-18-34)21-36-28-10-6-5-9-25(28)30/h2-12,19,24H,13-18,20-21H2,1H3
InChIKeyRLLAYCXNHRFXDH-UHFFFAOYSA-N
XLogP6.67
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.50
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[2-(3,4-dichlorophenyl)-4-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylbutyl]-N-methylbenzamide 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-[2-(3,4-dichlorophenyl)-4-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylbutyl]-N-methylbenzamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)-4-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylbutyl]-N-methylbenzamide (CID 19366950) is N-[2-(3,4-dichlorophenyl)-4-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylbutyl]-N-methylbenzamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)-4-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylbutyl]-N-methylbenzamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)-4-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylbutyl]-N-methylbenzamide is CN(CC(CCN1CCC2(CC1)COc1ccccc12)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)-4-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylbutyl]-N-methylbenzamide?
The InChIKey is RLLAYCXNHRFXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32Cl2N2O2/c1-33(29(35)22-7-3-2-4-8-22)20-24(23-11-12-26(31)27(32)19-23)13-16-34-17-14-30(15-18-34)21-36-28-10-6-5-9-25(28)30/h2-12,19,24H,13-18,20-21H2,1H3.
What are the key properties of N-[2-(3,4-dichlorophenyl)-4-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylbutyl]-N-methylbenzamide?
N-[2-(3,4-dichlorophenyl)-4-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylbutyl]-N-methylbenzamide has a molecular weight of 523.50 g/mol, XLogP of 6.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)-4-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylbutyl]-N-methylbenzamide is sourced from PubChem (CID 19366950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).