5-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)furan-2-carboxamide

C15H14BrNO2 — CID 848256

IUPAC5-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)furan-2-carboxamide
SMILESO=C(Nc1cccc2c1CCCC2)c1ccc(Br)o1
InChIInChI=1S/C15H14BrNO2/c16-14-9-8-13(19-14)15(18)17-12-7-3-5-10-4-1-2-6-11(10)12/h3,5,7-9H,1-2,4,6H2,(H,17,18)
InChIKeyYEQYZYWQLHSMMR-UHFFFAOYSA-N
MW320.19 g/mol
LogP4.17
Rot. Bonds2

About 5-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)furan-2-carboxamide

5-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)furan-2-carboxamide (PubChem CID 848256) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 5-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)furan-2-carboxamide
PubChem CID848256
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name5-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)furan-2-carboxamide
SMILESO=C(Nc1cccc2c1CCCC2)c1ccc(Br)o1
InChIInChI=1S/C15H14BrNO2/c16-14-9-8-13(19-14)15(18)17-12-7-3-5-10-4-1-2-6-11(10)12/h3,5,7-9H,1-2,4,6H2,(H,17,18)
InChIKeyYEQYZYWQLHSMMR-UHFFFAOYSA-N
XLogP4.17
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)furan-2-carboxamide (CID 848256) is 5-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)furan-2-carboxamide is O=C(Nc1cccc2c1CCCC2)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)furan-2-carboxamide?
The InChIKey is YEQYZYWQLHSMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c16-14-9-8-13(19-14)15(18)17-12-7-3-5-10-4-1-2-6-11(10)12/h3,5,7-9H,1-2,4,6H2,(H,17,18).
What are the key properties of 5-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)furan-2-carboxamide?
5-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)furan-2-carboxamide has a molecular weight of 320.19 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)furan-2-carboxamide is sourced from PubChem (CID 848256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).