5-chloro-1-[[4-[(5-chloro-2,3-dioxoindol-1-yl)methyl]phenyl]methyl]indole-2,3-dione

C24H14Cl2N2O4 — CID 139227622

IUPAC5-chloro-1-[[4-[(5-chloro-2,3-dioxoindol-1-yl)methyl]phenyl]methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccc(CN3C(=O)C(=O)c4cc(Cl)ccc43)cc2)c2ccc(Cl)cc21
InChIInChI=1S/C24H14Cl2N2O4/c25-15-5-7-19-17(9-15)21(29)23(31)27(19)11-13-1-2-14(4-3-13)12-28-20-8-6-16(26)10-18(20)22(30)24(28)32/h1-10H,11-12H2
InChIKeyDPFGZEJTOCHANM-UHFFFAOYSA-N
MW465.29 g/mol
LogP4.45
Rot. Bonds4

About 5-chloro-1-[[4-[(5-chloro-2,3-dioxoindol-1-yl)methyl]phenyl]methyl]indole-2,3-dione

5-chloro-1-[[4-[(5-chloro-2,3-dioxoindol-1-yl)methyl]phenyl]methyl]indole-2,3-dione (PubChem CID 139227622) has the molecular formula C24H14Cl2N2O4 and a molecular weight of 465.29 g/mol. Its IUPAC name is 5-chloro-1-[[4-[(5-chloro-2,3-dioxoindol-1-yl)methyl]phenyl]methyl]indole-2,3-dione.

Molecular Properties

Compound Name5-chloro-1-[[4-[(5-chloro-2,3-dioxoindol-1-yl)methyl]phenyl]methyl]indole-2,3-dione
PubChem CID139227622
Molecular FormulaC24H14Cl2N2O4
Molecular Weight465.29 g/mol
Exact Mass464.03
IUPAC Name5-chloro-1-[[4-[(5-chloro-2,3-dioxoindol-1-yl)methyl]phenyl]methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccc(CN3C(=O)C(=O)c4cc(Cl)ccc43)cc2)c2ccc(Cl)cc21
InChIInChI=1S/C24H14Cl2N2O4/c25-15-5-7-19-17(9-15)21(29)23(31)27(19)11-13-1-2-14(4-3-13)12-28-20-8-6-16(26)10-18(20)22(30)24(28)32/h1-10H,11-12H2
InChIKeyDPFGZEJTOCHANM-UHFFFAOYSA-N
XLogP4.45
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.29
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 5-chloro-1-[[4-[(5-chloro-2,3-dioxoindol-1-yl)methyl]phenyl]methyl]indole-2,3-dione with MolForge

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Related Compounds

5-chloro-1-[(4-propoxyphenyl)methyl]indole-2,3-dione
CID 9191121
5-chloro-1-(2-chloroethyl)indole-2,3-dione
CID 12634820
5-chloro-1-(2-fluoroethyl)indole-2,3-dione
CID 80694760
6-chloro-1-[(4-fluorophenyl)methyl]indole-2,3-dione
CID 61356251
5-chloro-1-[(E)-3-chloroprop-2-enyl]indole-2,3-dione
CID 103826042
2,4-dichloro-N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]benzamide
CID 150679382
6-chloro-1-[(3-chlorophenyl)methyl]indole-2,3-dione
CID 61356762
5-chloro-1-(4-chlorobut-2-enyl)indole-2,3-dione
CID 77051425
5-chloro-1-(2-ethylbutyl)indole-2,3-dione
CID 82928521
5-bromo-1-[(4-chloro-3-fluorophenyl)methyl]indole-2,3-dione
CID 107882127
1-[(4-chloro-2-fluorophenyl)methyl]-5-fluoroindole-2,3-dione
CID 114850024
5-chloro-1-[(3-methyl-2-pyridinyl)methyl]indole-2,3-dione
CID 115886887

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[[4-[(5-chloro-2,3-dioxoindol-1-yl)methyl]phenyl]methyl]indole-2,3-dione?
The IUPAC name of 5-chloro-1-[[4-[(5-chloro-2,3-dioxoindol-1-yl)methyl]phenyl]methyl]indole-2,3-dione (CID 139227622) is 5-chloro-1-[[4-[(5-chloro-2,3-dioxoindol-1-yl)methyl]phenyl]methyl]indole-2,3-dione.
What is the SMILES notation for 5-chloro-1-[[4-[(5-chloro-2,3-dioxoindol-1-yl)methyl]phenyl]methyl]indole-2,3-dione?
The canonical SMILES for 5-chloro-1-[[4-[(5-chloro-2,3-dioxoindol-1-yl)methyl]phenyl]methyl]indole-2,3-dione is O=C1C(=O)N(Cc2ccc(CN3C(=O)C(=O)c4cc(Cl)ccc43)cc2)c2ccc(Cl)cc21.
What is the InChIKey of 5-chloro-1-[[4-[(5-chloro-2,3-dioxoindol-1-yl)methyl]phenyl]methyl]indole-2,3-dione?
The InChIKey is DPFGZEJTOCHANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl2N2O4/c25-15-5-7-19-17(9-15)21(29)23(31)27(19)11-13-1-2-14(4-3-13)12-28-20-8-6-16(26)10-18(20)22(30)24(28)32/h1-10H,11-12H2.
What are the key properties of 5-chloro-1-[[4-[(5-chloro-2,3-dioxoindol-1-yl)methyl]phenyl]methyl]indole-2,3-dione?
5-chloro-1-[[4-[(5-chloro-2,3-dioxoindol-1-yl)methyl]phenyl]methyl]indole-2,3-dione has a molecular weight of 465.29 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[[4-[(5-chloro-2,3-dioxoindol-1-yl)methyl]phenyl]methyl]indole-2,3-dione is sourced from PubChem (CID 139227622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).