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

C33H22ClFN2O4 — CID 18868921

IUPAC2-[(2-chlorophenyl)methyl]-1'-[(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(Cc2ccc(F)cc2)c2ccccc21)N(Cc1ccccc1Cl)C3=O
InChIInChI=1S/C33H22ClFN2O4/c1-19-10-15-27-23(16-19)29(38)28-30(41-27)31(39)37(18-21-6-2-4-8-25(21)34)33(28)24-7-3-5-9-26(24)36(32(33)40)17-20-11-13-22(35)14-12-20/h2-16H,17-18H2,1H3
InChIKeyIBCYVCYUMLAICS-UHFFFAOYSA-N
MW565.00 g/mol
LogP6.34
Rot. Bonds4

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

2-[(2-chlorophenyl)methyl]-1'-[(4-fluorophenyl)methyl]-7-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 18868921) has the molecular formula C33H22ClFN2O4 and a molecular weight of 565.00 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-1'-[(4-fluorophenyl)methyl]-7-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-1'-[(4-fluorophenyl)methyl]-7-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
PubChem CID18868921
Molecular FormulaC33H22ClFN2O4
Molecular Weight565.00 g/mol
Exact Mass564.13
IUPAC Name2-[(2-chlorophenyl)methyl]-1'-[(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(Cc2ccc(F)cc2)c2ccccc21)N(Cc1ccccc1Cl)C3=O
InChIInChI=1S/C33H22ClFN2O4/c1-19-10-15-27-23(16-19)29(38)28-30(41-27)31(39)37(18-21-6-2-4-8-25(21)34)33(28)24-7-3-5-9-26(24)36(32(33)40)17-20-11-13-22(35)14-12-20/h2-16H,17-18H2,1H3
InChIKeyIBCYVCYUMLAICS-UHFFFAOYSA-N
XLogP6.34
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.00
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-1'-[(4-fluorophenyl)methyl]-7-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-1'-[(4-fluorophenyl)methyl]-7-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 18868921) is 2-[(2-chlorophenyl)methyl]-1'-[(4-fluorophenyl)methyl]-7-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-1'-[(4-fluorophenyl)methyl]-7-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-1'-[(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(Cc2ccc(F)cc2)c2ccccc21)N(Cc1ccccc1Cl)C3=O.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-1'-[(4-fluorophenyl)methyl]-7-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The InChIKey is IBCYVCYUMLAICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22ClFN2O4/c1-19-10-15-27-23(16-19)29(38)28-30(41-27)31(39)37(18-21-6-2-4-8-25(21)34)33(28)24-7-3-5-9-26(24)36(32(33)40)17-20-11-13-22(35)14-12-20/h2-16H,17-18H2,1H3.
What are the key properties of 2-[(2-chlorophenyl)methyl]-1'-[(4-fluorophenyl)methyl]-7-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
2-[(2-chlorophenyl)methyl]-1'-[(4-fluorophenyl)methyl]-7-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 565.00 g/mol, XLogP of 6.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-1'-[(4-fluorophenyl)methyl]-7-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 18868921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).