N-(3,5-dichlorophenyl)-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide

C30H20Cl2N2O5 — CID 66641991

IUPACN-(3,5-dichlorophenyl)-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1ccccc1CN1C(=O)C2(COc3cc4c(cc32)OCO4)c2ccccc21
InChIInChI=1S/C30H20Cl2N2O5/c31-18-9-19(32)11-20(10-18)33-28(35)21-6-2-1-5-17(21)14-34-24-8-4-3-7-22(24)30(29(34)36)15-37-25-13-27-26(12-23(25)30)38-16-39-27/h1-13H,14-16H2,(H,33,35)
InChIKeyNHMLAWVUDZVFNO-UHFFFAOYSA-N
MW559.41 g/mol
LogP6.20
Rot. Bonds4

About N-(3,5-dichlorophenyl)-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide

N-(3,5-dichlorophenyl)-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide (PubChem CID 66641991) has the molecular formula C30H20Cl2N2O5 and a molecular weight of 559.41 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide
PubChem CID66641991
Molecular FormulaC30H20Cl2N2O5
Molecular Weight559.41 g/mol
Exact Mass558.07
IUPAC NameN-(3,5-dichlorophenyl)-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1ccccc1CN1C(=O)C2(COc3cc4c(cc32)OCO4)c2ccccc21
InChIInChI=1S/C30H20Cl2N2O5/c31-18-9-19(32)11-20(10-18)33-28(35)21-6-2-1-5-17(21)14-34-24-8-4-3-7-22(24)30(29(34)36)15-37-25-13-27-26(12-23(25)30)38-16-39-27/h1-13H,14-16H2,(H,33,35)
InChIKeyNHMLAWVUDZVFNO-UHFFFAOYSA-N
XLogP6.20
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.41
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,5-dichlorophenyl)-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide 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-(3,5-dichlorophenyl)-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide (CID 66641991) is N-(3,5-dichlorophenyl)-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide is O=C(Nc1cc(Cl)cc(Cl)c1)c1ccccc1CN1C(=O)C2(COc3cc4c(cc32)OCO4)c2ccccc21.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide?
The InChIKey is NHMLAWVUDZVFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20Cl2N2O5/c31-18-9-19(32)11-20(10-18)33-28(35)21-6-2-1-5-17(21)14-34-24-8-4-3-7-22(24)30(29(34)36)15-37-25-13-27-26(12-23(25)30)38-16-39-27/h1-13H,14-16H2,(H,33,35).
What are the key properties of N-(3,5-dichlorophenyl)-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide?
N-(3,5-dichlorophenyl)-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide has a molecular weight of 559.41 g/mol, XLogP of 6.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide is sourced from PubChem (CID 66641991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).