1'-benzyl-2-[(4-fluorophenyl)methyl]-7-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

C33H23FN2O4 — CID 18868830

IUPAC1'-benzyl-2-[(4-fluorophenyl)methyl]-7-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCc1ccc2oc3c(c(=O)c2c1)C1(C(=O)N(Cc2ccccc2)c2ccccc21)N(Cc1ccc(F)cc1)C3=O
InChIInChI=1S/C33H23FN2O4/c1-20-11-16-27-24(17-20)29(37)28-30(40-27)31(38)36(19-22-12-14-23(34)15-13-22)33(28)25-9-5-6-10-26(25)35(32(33)39)18-21-7-3-2-4-8-21/h2-17H,18-19H2,1H3
InChIKeyASZVENHWKYFNSO-UHFFFAOYSA-N
MW530.56 g/mol
LogP5.69
Rot. Bonds4

About 1'-benzyl-2-[(4-fluorophenyl)methyl]-7-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

1'-benzyl-2-[(4-fluorophenyl)methyl]-7-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 18868830) has the molecular formula C33H23FN2O4 and a molecular weight of 530.56 g/mol. Its IUPAC name is 1'-benzyl-2-[(4-fluorophenyl)methyl]-7-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

Compound Name1'-benzyl-2-[(4-fluorophenyl)methyl]-7-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
PubChem CID18868830
Molecular FormulaC33H23FN2O4
Molecular Weight530.56 g/mol
Exact Mass530.16
IUPAC Name1'-benzyl-2-[(4-fluorophenyl)methyl]-7-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCc1ccc2oc3c(c(=O)c2c1)C1(C(=O)N(Cc2ccccc2)c2ccccc21)N(Cc1ccc(F)cc1)C3=O
InChIInChI=1S/C33H23FN2O4/c1-20-11-16-27-24(17-20)29(37)28-30(40-27)31(38)36(19-22-12-14-23(34)15-13-22)33(28)25-9-5-6-10-26(25)35(32(33)39)18-21-7-3-2-4-8-21/h2-17H,18-19H2,1H3
InChIKeyASZVENHWKYFNSO-UHFFFAOYSA-N
XLogP5.69
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.56
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1'-benzyl-2-[(4-fluorophenyl)methyl]-7-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione 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 1'-benzyl-2-[(4-fluorophenyl)methyl]-7-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The IUPAC name of 1'-benzyl-2-[(4-fluorophenyl)methyl]-7-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 18868830) is 1'-benzyl-2-[(4-fluorophenyl)methyl]-7-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.
What is the SMILES notation for 1'-benzyl-2-[(4-fluorophenyl)methyl]-7-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The canonical SMILES for 1'-benzyl-2-[(4-fluorophenyl)methyl]-7-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is Cc1ccc2oc3c(c(=O)c2c1)C1(C(=O)N(Cc2ccccc2)c2ccccc21)N(Cc1ccc(F)cc1)C3=O.
What is the InChIKey of 1'-benzyl-2-[(4-fluorophenyl)methyl]-7-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The InChIKey is ASZVENHWKYFNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23FN2O4/c1-20-11-16-27-24(17-20)29(37)28-30(40-27)31(38)36(19-22-12-14-23(34)15-13-22)33(28)25-9-5-6-10-26(25)35(32(33)39)18-21-7-3-2-4-8-21/h2-17H,18-19H2,1H3.
What are the key properties of 1'-benzyl-2-[(4-fluorophenyl)methyl]-7-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
1'-benzyl-2-[(4-fluorophenyl)methyl]-7-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 530.56 g/mol, XLogP of 5.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-2-[(4-fluorophenyl)methyl]-7-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 18868830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).