8-bromo-4-(2-chlorophenyl)-N-(2-hydroxycyclopentyl)-6-methyl-1,3-dioxopyrrolo[3,4-e]indole-7-carboxamide

C23H19BrClN3O4 — CID 72634826

IUPAC8-bromo-4-(2-chlorophenyl)-N-(2-hydroxycyclopentyl)-6-methyl-1,3-dioxopyrrolo[3,4-e]indole-7-carboxamide
SMILESCn1c(C(=O)NC2CCCC2O)c(Br)c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O
InChIInChI=1S/C23H19BrClN3O4/c1-28-14-9-11(10-5-2-3-6-12(10)25)16-18(22(31)27-21(16)30)17(14)19(24)20(28)23(32)26-13-7-4-8-15(13)29/h2-3,5-6,9,13,15,29H,4,7-8H2,1H3,(H,26,32)(H,27,30,31)
InChIKeyVKFJJIRTVZDGJI-UHFFFAOYSA-N
MW516.78 g/mol
LogP3.79
Rot. Bonds3

About 8-bromo-4-(2-chlorophenyl)-N-(2-hydroxycyclopentyl)-6-methyl-1,3-dioxopyrrolo[3,4-e]indole-7-carboxamide

8-bromo-4-(2-chlorophenyl)-N-(2-hydroxycyclopentyl)-6-methyl-1,3-dioxopyrrolo[3,4-e]indole-7-carboxamide (PubChem CID 72634826) has the molecular formula C23H19BrClN3O4 and a molecular weight of 516.78 g/mol. Its IUPAC name is 8-bromo-4-(2-chlorophenyl)-N-(2-hydroxycyclopentyl)-6-methyl-1,3-dioxopyrrolo[3,4-e]indole-7-carboxamide.

Molecular Properties

Compound Name8-bromo-4-(2-chlorophenyl)-N-(2-hydroxycyclopentyl)-6-methyl-1,3-dioxopyrrolo[3,4-e]indole-7-carboxamide
PubChem CID72634826
Molecular FormulaC23H19BrClN3O4
Molecular Weight516.78 g/mol
Exact Mass515.02
IUPAC Name8-bromo-4-(2-chlorophenyl)-N-(2-hydroxycyclopentyl)-6-methyl-1,3-dioxopyrrolo[3,4-e]indole-7-carboxamide
SMILESCn1c(C(=O)NC2CCCC2O)c(Br)c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O
InChIInChI=1S/C23H19BrClN3O4/c1-28-14-9-11(10-5-2-3-6-12(10)25)16-18(22(31)27-21(16)30)17(14)19(24)20(28)23(32)26-13-7-4-8-15(13)29/h2-3,5-6,9,13,15,29H,4,7-8H2,1H3,(H,26,32)(H,27,30,31)
InChIKeyVKFJJIRTVZDGJI-UHFFFAOYSA-N
XLogP3.79
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.78
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-(2-chlorophenyl)-N-(2-hydroxycyclopentyl)-6-methyl-1,3-dioxopyrrolo[3,4-e]indole-7-carboxamide?
The IUPAC name of 8-bromo-4-(2-chlorophenyl)-N-(2-hydroxycyclopentyl)-6-methyl-1,3-dioxopyrrolo[3,4-e]indole-7-carboxamide (CID 72634826) is 8-bromo-4-(2-chlorophenyl)-N-(2-hydroxycyclopentyl)-6-methyl-1,3-dioxopyrrolo[3,4-e]indole-7-carboxamide.
What is the SMILES notation for 8-bromo-4-(2-chlorophenyl)-N-(2-hydroxycyclopentyl)-6-methyl-1,3-dioxopyrrolo[3,4-e]indole-7-carboxamide?
The canonical SMILES for 8-bromo-4-(2-chlorophenyl)-N-(2-hydroxycyclopentyl)-6-methyl-1,3-dioxopyrrolo[3,4-e]indole-7-carboxamide is Cn1c(C(=O)NC2CCCC2O)c(Br)c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O.
What is the InChIKey of 8-bromo-4-(2-chlorophenyl)-N-(2-hydroxycyclopentyl)-6-methyl-1,3-dioxopyrrolo[3,4-e]indole-7-carboxamide?
The InChIKey is VKFJJIRTVZDGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrClN3O4/c1-28-14-9-11(10-5-2-3-6-12(10)25)16-18(22(31)27-21(16)30)17(14)19(24)20(28)23(32)26-13-7-4-8-15(13)29/h2-3,5-6,9,13,15,29H,4,7-8H2,1H3,(H,26,32)(H,27,30,31).
What are the key properties of 8-bromo-4-(2-chlorophenyl)-N-(2-hydroxycyclopentyl)-6-methyl-1,3-dioxopyrrolo[3,4-e]indole-7-carboxamide?
8-bromo-4-(2-chlorophenyl)-N-(2-hydroxycyclopentyl)-6-methyl-1,3-dioxopyrrolo[3,4-e]indole-7-carboxamide has a molecular weight of 516.78 g/mol, XLogP of 3.79, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4-(2-chlorophenyl)-N-(2-hydroxycyclopentyl)-6-methyl-1,3-dioxopyrrolo[3,4-e]indole-7-carboxamide is sourced from PubChem (CID 72634826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).