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

C33H22ClFN2O4 — CID 18868472

IUPAC1'-[(4-chlorophenyl)methyl]-7-fluoro-2-[(4-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCc1ccc(CN2C(=O)c3oc4ccc(F)cc4c(=O)c3C23C(=O)N(Cc2ccc(Cl)cc2)c2ccccc23)cc1
InChIInChI=1S/C33H22ClFN2O4/c1-19-6-8-21(9-7-19)18-37-31(39)30-28(29(38)24-16-23(35)14-15-27(24)41-30)33(37)25-4-2-3-5-26(25)36(32(33)40)17-20-10-12-22(34)13-11-20/h2-16H,17-18H2,1H3
InChIKeyRAFUOIFVTNVSQC-UHFFFAOYSA-N
MW565.00 g/mol
LogP6.34
Rot. Bonds4

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

1'-[(4-chlorophenyl)methyl]-7-fluoro-2-[(4-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 18868472) has the molecular formula C33H22ClFN2O4 and a molecular weight of 565.00 g/mol. Its IUPAC name is 1'-[(4-chlorophenyl)methyl]-7-fluoro-2-[(4-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

Compound Name1'-[(4-chlorophenyl)methyl]-7-fluoro-2-[(4-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
PubChem CID18868472
Molecular FormulaC33H22ClFN2O4
Molecular Weight565.00 g/mol
Exact Mass564.13
IUPAC Name1'-[(4-chlorophenyl)methyl]-7-fluoro-2-[(4-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCc1ccc(CN2C(=O)c3oc4ccc(F)cc4c(=O)c3C23C(=O)N(Cc2ccc(Cl)cc2)c2ccccc23)cc1
InChIInChI=1S/C33H22ClFN2O4/c1-19-6-8-21(9-7-19)18-37-31(39)30-28(29(38)24-16-23(35)14-15-27(24)41-30)33(37)25-4-2-3-5-26(25)36(32(33)40)17-20-10-12-22(34)13-11-20/h2-16H,17-18H2,1H3
InChIKeyRAFUOIFVTNVSQC-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 1'-[(4-chlorophenyl)methyl]-7-fluoro-2-[(4-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The IUPAC name of 1'-[(4-chlorophenyl)methyl]-7-fluoro-2-[(4-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 18868472) is 1'-[(4-chlorophenyl)methyl]-7-fluoro-2-[(4-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.
What is the SMILES notation for 1'-[(4-chlorophenyl)methyl]-7-fluoro-2-[(4-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The canonical SMILES for 1'-[(4-chlorophenyl)methyl]-7-fluoro-2-[(4-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is Cc1ccc(CN2C(=O)c3oc4ccc(F)cc4c(=O)c3C23C(=O)N(Cc2ccc(Cl)cc2)c2ccccc23)cc1.
What is the InChIKey of 1'-[(4-chlorophenyl)methyl]-7-fluoro-2-[(4-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The InChIKey is RAFUOIFVTNVSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22ClFN2O4/c1-19-6-8-21(9-7-19)18-37-31(39)30-28(29(38)24-16-23(35)14-15-27(24)41-30)33(37)25-4-2-3-5-26(25)36(32(33)40)17-20-10-12-22(34)13-11-20/h2-16H,17-18H2,1H3.
What are the key properties of 1'-[(4-chlorophenyl)methyl]-7-fluoro-2-[(4-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
1'-[(4-chlorophenyl)methyl]-7-fluoro-2-[(4-methylphenyl)methyl]spiro[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 1'-[(4-chlorophenyl)methyl]-7-fluoro-2-[(4-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 18868472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).