N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropanecarboxamide

C24H22BrN3O3 — CID 23830842

IUPACN-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropanecarboxamide
SMILESO=C1CC(N(CCc2c[nH]c3ccccc23)C(=O)C2CC2)C(=O)N1c1ccc(Br)cc1
InChIInChI=1S/C24H22BrN3O3/c25-17-7-9-18(10-8-17)28-22(29)13-21(24(28)31)27(23(30)15-5-6-15)12-11-16-14-26-20-4-2-1-3-19(16)20/h1-4,7-10,14-15,21,26H,5-6,11-13H2
InChIKeyWEPVAUDTTPVDGA-UHFFFAOYSA-N
MW480.36 g/mol
LogP4.04
Rot. Bonds6

About N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropanecarboxamide

N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropanecarboxamide (PubChem CID 23830842) has the molecular formula C24H22BrN3O3 and a molecular weight of 480.36 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropanecarboxamide
PubChem CID23830842
Molecular FormulaC24H22BrN3O3
Molecular Weight480.36 g/mol
Exact Mass479.08
IUPAC NameN-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropanecarboxamide
SMILESO=C1CC(N(CCc2c[nH]c3ccccc23)C(=O)C2CC2)C(=O)N1c1ccc(Br)cc1
InChIInChI=1S/C24H22BrN3O3/c25-17-7-9-18(10-8-17)28-22(29)13-21(24(28)31)27(23(30)15-5-6-15)12-11-16-14-26-20-4-2-1-3-19(16)20/h1-4,7-10,14-15,21,26H,5-6,11-13H2
InChIKeyWEPVAUDTTPVDGA-UHFFFAOYSA-N
XLogP4.04
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.36
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropanecarboxamide
CID 23859207
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclohexanecarboxamide
CID 23915204
N-[4-[3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 23743728
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-phenylacetamide
CID 23971007
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
CID 23745412
N-[2-(1H-indol-3-yl)ethyl]-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide
CID 23773037
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]butanamide
CID 23971036
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 23830550
methyl 4-[3-[2-(1H-indol-3-yl)ethyl-(4-methylbenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23803639
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-4-nitrobenzamide
CID 23972582
[(3S)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-[2-(1H-indol-3-yl)ethyl]azanium
CID 7678359
N-[2-(1H-indol-3-yl)ethyl]-3,4-dimethoxy-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
CID 23860658

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropanecarboxamide (CID 23830842) is N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropanecarboxamide is O=C1CC(N(CCc2c[nH]c3ccccc23)C(=O)C2CC2)C(=O)N1c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropanecarboxamide?
The InChIKey is WEPVAUDTTPVDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrN3O3/c25-17-7-9-18(10-8-17)28-22(29)13-21(24(28)31)27(23(30)15-5-6-15)12-11-16-14-26-20-4-2-1-3-19(16)20/h1-4,7-10,14-15,21,26H,5-6,11-13H2.
What are the key properties of N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropanecarboxamide?
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropanecarboxamide has a molecular weight of 480.36 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 23830842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).