5-bromo-N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)furan-2-carboxamide

C19H17BrN2O4 — CID 1026501

IUPAC5-bromo-N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1ccc(Br)o1
InChIInChI=1S/C19H17BrN2O4/c20-16-9-8-15(26-16)17(23)21-11-6-7-13-14(10-11)19(25)22(18(13)24)12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H,21,23)
InChIKeyGWWLKCSBVDJCGT-UHFFFAOYSA-N
MW417.26 g/mol
LogP4.22
Rot. Bonds3

About 5-bromo-N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)furan-2-carboxamide

5-bromo-N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)furan-2-carboxamide (PubChem CID 1026501) has the molecular formula C19H17BrN2O4 and a molecular weight of 417.26 g/mol. Its IUPAC name is 5-bromo-N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)furan-2-carboxamide
PubChem CID1026501
Molecular FormulaC19H17BrN2O4
Molecular Weight417.26 g/mol
Exact Mass416.04
IUPAC Name5-bromo-N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1ccc(Br)o1
InChIInChI=1S/C19H17BrN2O4/c20-16-9-8-15(26-16)17(23)21-11-6-7-13-14(10-11)19(25)22(18(13)24)12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H,21,23)
InChIKeyGWWLKCSBVDJCGT-UHFFFAOYSA-N
XLogP4.22
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.26
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)furan-2-carboxamide (CID 1026501) is 5-bromo-N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)furan-2-carboxamide is O=C(Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)furan-2-carboxamide?
The InChIKey is GWWLKCSBVDJCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O4/c20-16-9-8-15(26-16)17(23)21-11-6-7-13-14(10-11)19(25)22(18(13)24)12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H,21,23).
What are the key properties of 5-bromo-N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)furan-2-carboxamide?
5-bromo-N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)furan-2-carboxamide has a molecular weight of 417.26 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)furan-2-carboxamide is sourced from PubChem (CID 1026501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).