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

C26H21ClN2O5 — CID 66642460

IUPAC2-chloro-N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]benzamide
SMILESO=C(NCCCN1C(=O)C2(COc3cc4c(cc32)OCO4)c2ccccc21)c1ccccc1Cl
InChIInChI=1S/C26H21ClN2O5/c27-19-8-3-1-6-16(19)24(30)28-10-5-11-29-20-9-4-2-7-17(20)26(25(29)31)14-32-21-13-23-22(12-18(21)26)33-15-34-23/h1-4,6-9,12-13H,5,10-11,14-15H2,(H,28,30)
InChIKeySEIQKQWCQOEDPC-UHFFFAOYSA-N
MW476.92 g/mol
LogP3.91
Rot. Bonds5

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

2-chloro-N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]benzamide (PubChem CID 66642460) has the molecular formula C26H21ClN2O5 and a molecular weight of 476.92 g/mol. Its IUPAC name is 2-chloro-N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]benzamide
PubChem CID66642460
Molecular FormulaC26H21ClN2O5
Molecular Weight476.92 g/mol
Exact Mass476.11
IUPAC Name2-chloro-N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]benzamide
SMILESO=C(NCCCN1C(=O)C2(COc3cc4c(cc32)OCO4)c2ccccc21)c1ccccc1Cl
InChIInChI=1S/C26H21ClN2O5/c27-19-8-3-1-6-16(19)24(30)28-10-5-11-29-20-9-4-2-7-17(20)26(25(29)31)14-32-21-13-23-22(12-18(21)26)33-15-34-23/h1-4,6-9,12-13H,5,10-11,14-15H2,(H,28,30)
InChIKeySEIQKQWCQOEDPC-UHFFFAOYSA-N
XLogP3.91
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.92
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethyl-N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]furan-3-carboxamide
CID 66642553
4-tert-butyl-N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]benzamide
CID 11999892
N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]cyclopentanecarboxamide
CID 66642533
N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]heptanamide
CID 66642249
N-[2-(4-chlorophenyl)ethyl]-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide
CID 11999047
1'-[3-(2-pyrrolidin-1-ylethylamino)propyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 66642252
N-ethyl-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide
CID 66641924
1-[(2-fluorophenyl)methyl]-3-[2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)ethyl]urea
CID 66642472
3-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propylamino]propanenitrile
CID 66642117
2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]-N-(2-thiophen-2-ylethyl)benzamide
CID 66642037
4-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)butanenitrile
CID 66642446
1'-(4,4,4-trifluorobutyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 66641983

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]benzamide?
The IUPAC name of 2-chloro-N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]benzamide (CID 66642460) is 2-chloro-N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]benzamide is O=C(NCCCN1C(=O)C2(COc3cc4c(cc32)OCO4)c2ccccc21)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]benzamide?
The InChIKey is SEIQKQWCQOEDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN2O5/c27-19-8-3-1-6-16(19)24(30)28-10-5-11-29-20-9-4-2-7-17(20)26(25(29)31)14-32-21-13-23-22(12-18(21)26)33-15-34-23/h1-4,6-9,12-13H,5,10-11,14-15H2,(H,28,30).
What are the key properties of 2-chloro-N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]benzamide?
2-chloro-N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]benzamide has a molecular weight of 476.92 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]benzamide is sourced from PubChem (CID 66642460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).