3,5-dibromo-N,N-di(propan-2-yl)furan-2-carboxamide

C11H15Br2NO2 — CID 134860214

IUPAC3,5-dibromo-N,N-di(propan-2-yl)furan-2-carboxamide
SMILESCC(C)N(C(=O)c1oc(Br)cc1Br)C(C)C
InChIInChI=1S/C11H15Br2NO2/c1-6(2)14(7(3)4)11(15)10-8(12)5-9(13)16-10/h5-7H,1-4H3
InChIKeyORDCJGQIKJVSCF-UHFFFAOYSA-N
MW353.05 g/mol
LogP4.06
Rot. Bonds3

About 3,5-dibromo-N,N-di(propan-2-yl)furan-2-carboxamide

3,5-dibromo-N,N-di(propan-2-yl)furan-2-carboxamide (PubChem CID 134860214) has the molecular formula C11H15Br2NO2 and a molecular weight of 353.05 g/mol. Its IUPAC name is 3,5-dibromo-N,N-di(propan-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name3,5-dibromo-N,N-di(propan-2-yl)furan-2-carboxamide
PubChem CID134860214
Molecular FormulaC11H15Br2NO2
Molecular Weight353.05 g/mol
Exact Mass350.95
IUPAC Name3,5-dibromo-N,N-di(propan-2-yl)furan-2-carboxamide
SMILESCC(C)N(C(=O)c1oc(Br)cc1Br)C(C)C
InChIInChI=1S/C11H15Br2NO2/c1-6(2)14(7(3)4)11(15)10-8(12)5-9(13)16-10/h5-7H,1-4H3
InChIKeyORDCJGQIKJVSCF-UHFFFAOYSA-N
XLogP4.06
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.05
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N,N-di(propan-2-yl)furan-2-carboxamide?
The IUPAC name of 3,5-dibromo-N,N-di(propan-2-yl)furan-2-carboxamide (CID 134860214) is 3,5-dibromo-N,N-di(propan-2-yl)furan-2-carboxamide.
What is the SMILES notation for 3,5-dibromo-N,N-di(propan-2-yl)furan-2-carboxamide?
The canonical SMILES for 3,5-dibromo-N,N-di(propan-2-yl)furan-2-carboxamide is CC(C)N(C(=O)c1oc(Br)cc1Br)C(C)C.
What is the InChIKey of 3,5-dibromo-N,N-di(propan-2-yl)furan-2-carboxamide?
The InChIKey is ORDCJGQIKJVSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NO2/c1-6(2)14(7(3)4)11(15)10-8(12)5-9(13)16-10/h5-7H,1-4H3.
What are the key properties of 3,5-dibromo-N,N-di(propan-2-yl)furan-2-carboxamide?
3,5-dibromo-N,N-di(propan-2-yl)furan-2-carboxamide has a molecular weight of 353.05 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N,N-di(propan-2-yl)furan-2-carboxamide is sourced from PubChem (CID 134860214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).