5-bromo-N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]furan-2-carboxamide

C18H15BrN2O5 — CID 17296711

IUPAC5-bromo-N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)C(=O)N(CC1CCCO1)C2=O)c1ccc(Br)o1
InChIInChI=1S/C18H15BrN2O5/c19-15-6-5-14(26-15)16(22)20-10-3-4-12-13(8-10)18(24)21(17(12)23)9-11-2-1-7-25-11/h3-6,8,11H,1-2,7,9H2,(H,20,22)
InChIKeyRNAKWUWCYZCNQZ-UHFFFAOYSA-N
MW419.23 g/mol
LogP3.07
Rot. Bonds4

About 5-bromo-N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]furan-2-carboxamide

5-bromo-N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]furan-2-carboxamide (PubChem CID 17296711) has the molecular formula C18H15BrN2O5 and a molecular weight of 419.23 g/mol. Its IUPAC name is 5-bromo-N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]furan-2-carboxamide
PubChem CID17296711
Molecular FormulaC18H15BrN2O5
Molecular Weight419.23 g/mol
Exact Mass418.02
IUPAC Name5-bromo-N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)C(=O)N(CC1CCCO1)C2=O)c1ccc(Br)o1
InChIInChI=1S/C18H15BrN2O5/c19-15-6-5-14(26-15)16(22)20-10-3-4-12-13(8-10)18(24)21(17(12)23)9-11-2-1-7-25-11/h3-6,8,11H,1-2,7,9H2,(H,20,22)
InChIKeyRNAKWUWCYZCNQZ-UHFFFAOYSA-N
XLogP3.07
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.23
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 17362324
N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]furan-2-carboxamide
CID 2976308
(2R)-N-[1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindol-5-yl]oxolane-2-carboxamide
CID 9324664
N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 17362321
N-[1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindol-5-yl]-4-(propanoylamino)benzamide
CID 2221820
3-[[1,3-dioxo-2-[[(2S)-oxolan-2-yl]methyl]isoindol-5-yl]carbamoyl]-2-methylbenzoate
CID 9325606
3-chloro-N-[1,3-dioxo-2-[[(2S)-oxolan-2-yl]methyl]isoindol-5-yl]propanamide
CID 40869687
(E)-4-[[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]amino]-4-oxobut-2-enoic acid
CID 17362362
N-(3,5-dimethylphenyl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 43002002
N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-2-phenoxyacetamide
CID 2936153
N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-2-nitrobenzamide
CID 17362198
3-cyclohexyl-N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]propanamide
CID 17362217

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]furan-2-carboxamide (CID 17296711) is 5-bromo-N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]furan-2-carboxamide is O=C(Nc1ccc2c(c1)C(=O)N(CC1CCCO1)C2=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]furan-2-carboxamide?
The InChIKey is RNAKWUWCYZCNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O5/c19-15-6-5-14(26-15)16(22)20-10-3-4-12-13(8-10)18(24)21(17(12)23)9-11-2-1-7-25-11/h3-6,8,11H,1-2,7,9H2,(H,20,22).
What are the key properties of 5-bromo-N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]furan-2-carboxamide?
5-bromo-N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]furan-2-carboxamide has a molecular weight of 419.23 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 17296711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).