4-anilino-8-chloro-3'-methylspiro[3,4-dihydro-1H-benzo[cd]indole-5,5'-furan]-2'-one

C21H17ClN2O2 — CID 21124154

IUPAC4-anilino-8-chloro-3'-methylspiro[3,4-dihydro-1H-benzo[cd]indole-5,5'-furan]-2'-one
SMILESCC1=CC2(OC1=O)c1ccc(Cl)c3[nH]cc(c13)CC2Nc1ccccc1
InChIInChI=1S/C21H17ClN2O2/c1-12-10-21(26-20(12)25)15-7-8-16(22)19-18(15)13(11-23-19)9-17(21)24-14-5-3-2-4-6-14/h2-8,10-11,17,23-24H,9H2,1H3
InChIKeyAAHWIRZTJUXCTR-UHFFFAOYSA-N
MW364.83 g/mol
LogP4.56
Rot. Bonds2

About 4-anilino-8-chloro-3'-methylspiro[3,4-dihydro-1H-benzo[cd]indole-5,5'-furan]-2'-one

4-anilino-8-chloro-3'-methylspiro[3,4-dihydro-1H-benzo[cd]indole-5,5'-furan]-2'-one (PubChem CID 21124154) has the molecular formula C21H17ClN2O2 and a molecular weight of 364.83 g/mol. Its IUPAC name is 4-anilino-8-chloro-3'-methylspiro[3,4-dihydro-1H-benzo[cd]indole-5,5'-furan]-2'-one.

Molecular Properties

Compound Name4-anilino-8-chloro-3'-methylspiro[3,4-dihydro-1H-benzo[cd]indole-5,5'-furan]-2'-one
PubChem CID21124154
Molecular FormulaC21H17ClN2O2
Molecular Weight364.83 g/mol
Exact Mass364.10
IUPAC Name4-anilino-8-chloro-3'-methylspiro[3,4-dihydro-1H-benzo[cd]indole-5,5'-furan]-2'-one
SMILESCC1=CC2(OC1=O)c1ccc(Cl)c3[nH]cc(c13)CC2Nc1ccccc1
InChIInChI=1S/C21H17ClN2O2/c1-12-10-21(26-20(12)25)15-7-8-16(22)19-18(15)13(11-23-19)9-17(21)24-14-5-3-2-4-6-14/h2-8,10-11,17,23-24H,9H2,1H3
InChIKeyAAHWIRZTJUXCTR-UHFFFAOYSA-N
XLogP4.56
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-anilino-8-chloro-3'-methylspiro[3,4-dihydro-1H-benzo[cd]indole-5,5'-furan]-2'-one?
The IUPAC name of 4-anilino-8-chloro-3'-methylspiro[3,4-dihydro-1H-benzo[cd]indole-5,5'-furan]-2'-one (CID 21124154) is 4-anilino-8-chloro-3'-methylspiro[3,4-dihydro-1H-benzo[cd]indole-5,5'-furan]-2'-one.
What is the SMILES notation for 4-anilino-8-chloro-3'-methylspiro[3,4-dihydro-1H-benzo[cd]indole-5,5'-furan]-2'-one?
The canonical SMILES for 4-anilino-8-chloro-3'-methylspiro[3,4-dihydro-1H-benzo[cd]indole-5,5'-furan]-2'-one is CC1=CC2(OC1=O)c1ccc(Cl)c3[nH]cc(c13)CC2Nc1ccccc1.
What is the InChIKey of 4-anilino-8-chloro-3'-methylspiro[3,4-dihydro-1H-benzo[cd]indole-5,5'-furan]-2'-one?
The InChIKey is AAHWIRZTJUXCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O2/c1-12-10-21(26-20(12)25)15-7-8-16(22)19-18(15)13(11-23-19)9-17(21)24-14-5-3-2-4-6-14/h2-8,10-11,17,23-24H,9H2,1H3.
What are the key properties of 4-anilino-8-chloro-3'-methylspiro[3,4-dihydro-1H-benzo[cd]indole-5,5'-furan]-2'-one?
4-anilino-8-chloro-3'-methylspiro[3,4-dihydro-1H-benzo[cd]indole-5,5'-furan]-2'-one has a molecular weight of 364.83 g/mol, XLogP of 4.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-8-chloro-3'-methylspiro[3,4-dihydro-1H-benzo[cd]indole-5,5'-furan]-2'-one is sourced from PubChem (CID 21124154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).