5-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methylfuran-2-carboxamide

C16H16BrNO2 — CID 55779404

IUPAC5-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methylfuran-2-carboxamide
SMILESCc1cc(Br)oc1C(=O)NCc1ccc2c(c1)CCC2
InChIInChI=1S/C16H16BrNO2/c1-10-7-14(17)20-15(10)16(19)18-9-11-5-6-12-3-2-4-13(12)8-11/h5-8H,2-4,9H2,1H3,(H,18,19)
InChIKeyGUJSQVASRRNDII-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.77
Rot. Bonds3

About 5-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methylfuran-2-carboxamide

5-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methylfuran-2-carboxamide (PubChem CID 55779404) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 5-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methylfuran-2-carboxamide
PubChem CID55779404
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name5-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methylfuran-2-carboxamide
SMILESCc1cc(Br)oc1C(=O)NCc1ccc2c(c1)CCC2
InChIInChI=1S/C16H16BrNO2/c1-10-7-14(17)20-15(10)16(19)18-9-11-5-6-12-3-2-4-13(12)8-11/h5-8H,2-4,9H2,1H3,(H,18,19)
InChIKeyGUJSQVASRRNDII-UHFFFAOYSA-N
XLogP3.77
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methylfuran-2-carboxamide (CID 55779404) is 5-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methylfuran-2-carboxamide is Cc1cc(Br)oc1C(=O)NCc1ccc2c(c1)CCC2.
What is the InChIKey of 5-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methylfuran-2-carboxamide?
The InChIKey is GUJSQVASRRNDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-10-7-14(17)20-15(10)16(19)18-9-11-5-6-12-3-2-4-13(12)8-11/h5-8H,2-4,9H2,1H3,(H,18,19).
What are the key properties of 5-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methylfuran-2-carboxamide?
5-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methylfuran-2-carboxamide has a molecular weight of 334.21 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methylfuran-2-carboxamide is sourced from PubChem (CID 55779404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).