3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide

C20H17BrN2O3 — CID 30437588

IUPAC3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide
SMILESO=C(CCN1C(=O)c2ccc(Br)cc2C1=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C20H17BrN2O3/c21-14-5-7-16-17(11-14)20(26)23(19(16)25)9-8-18(24)22-15-6-4-12-2-1-3-13(12)10-15/h4-7,10-11H,1-3,8-9H2,(H,22,24)
InChIKeyWVZGWTLMYKWZNN-UHFFFAOYSA-N
MW413.27 g/mol
LogP3.56
Rot. Bonds4

About 3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide

3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide (PubChem CID 30437588) has the molecular formula C20H17BrN2O3 and a molecular weight of 413.27 g/mol. Its IUPAC name is 3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide.

Molecular Properties

Compound Name3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide
PubChem CID30437588
Molecular FormulaC20H17BrN2O3
Molecular Weight413.27 g/mol
Exact Mass412.04
IUPAC Name3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide
SMILESO=C(CCN1C(=O)c2ccc(Br)cc2C1=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C20H17BrN2O3/c21-14-5-7-16-17(11-14)20(26)23(19(16)25)9-8-18(24)22-15-6-4-12-2-1-3-13(12)10-15/h4-7,10-11H,1-3,8-9H2,(H,22,24)
InChIKeyWVZGWTLMYKWZNN-UHFFFAOYSA-N
XLogP3.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.27
LogP ≤ 53.56
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

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4-bromo-N-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]benzamide
CID 4805536
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3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
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3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3,4-difluorophenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide?
The IUPAC name of 3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide (CID 30437588) is 3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide.
What is the SMILES notation for 3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide?
The canonical SMILES for 3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide is O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide?
The InChIKey is WVZGWTLMYKWZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O3/c21-14-5-7-16-17(11-14)20(26)23(19(16)25)9-8-18(24)22-15-6-4-12-2-1-3-13(12)10-15/h4-7,10-11H,1-3,8-9H2,(H,22,24).
What are the key properties of 3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide?
3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide has a molecular weight of 413.27 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide is sourced from PubChem (CID 30437588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).