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

C32H20ClFN2O4 — CID 18867447

IUPAC2-[(2-chlorophenyl)methyl]-1'-[(4-fluorophenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESO=C1c2oc3ccccc3c(=O)c2C2(C(=O)N(Cc3ccc(F)cc3)c3ccccc32)N1Cc1ccccc1Cl
InChIInChI=1S/C32H20ClFN2O4/c33-24-10-4-1-7-20(24)18-36-30(38)29-27(28(37)22-8-2-6-12-26(22)40-29)32(36)23-9-3-5-11-25(23)35(31(32)39)17-19-13-15-21(34)16-14-19/h1-16H,17-18H2
InChIKeyVCSAWKCERGJBQH-UHFFFAOYSA-N
MW550.97 g/mol
LogP6.03
Rot. Bonds4

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

2-[(2-chlorophenyl)methyl]-1'-[(4-fluorophenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 18867447) has the molecular formula C32H20ClFN2O4 and a molecular weight of 550.97 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-1'-[(4-fluorophenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-1'-[(4-fluorophenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
PubChem CID18867447
Molecular FormulaC32H20ClFN2O4
Molecular Weight550.97 g/mol
Exact Mass550.11
IUPAC Name2-[(2-chlorophenyl)methyl]-1'-[(4-fluorophenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESO=C1c2oc3ccccc3c(=O)c2C2(C(=O)N(Cc3ccc(F)cc3)c3ccccc32)N1Cc1ccccc1Cl
InChIInChI=1S/C32H20ClFN2O4/c33-24-10-4-1-7-20(24)18-36-30(38)29-27(28(37)22-8-2-6-12-26(22)40-29)32(36)23-9-3-5-11-25(23)35(31(32)39)17-19-13-15-21(34)16-14-19/h1-16H,17-18H2
InChIKeyVCSAWKCERGJBQH-UHFFFAOYSA-N
XLogP6.03
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.97
LogP ≤ 56.03
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]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-1'-[(4-fluorophenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 18867447) is 2-[(2-chlorophenyl)methyl]-1'-[(4-fluorophenyl)methyl]spiro[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]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-1'-[(4-fluorophenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is O=C1c2oc3ccccc3c(=O)c2C2(C(=O)N(Cc3ccc(F)cc3)c3ccccc32)N1Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-1'-[(4-fluorophenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The InChIKey is VCSAWKCERGJBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20ClFN2O4/c33-24-10-4-1-7-20(24)18-36-30(38)29-27(28(37)22-8-2-6-12-26(22)40-29)32(36)23-9-3-5-11-25(23)35(31(32)39)17-19-13-15-21(34)16-14-19/h1-16H,17-18H2.
What are the key properties of 2-[(2-chlorophenyl)methyl]-1'-[(4-fluorophenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
2-[(2-chlorophenyl)methyl]-1'-[(4-fluorophenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 550.97 g/mol, XLogP of 6.03, 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]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 18867447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).