2-bromo-N-cyclopropyl-4-propan-2-yloxy-1-benzofuran-6-carboxamide

C15H16BrNO3 — CID 91958249

IUPAC2-bromo-N-cyclopropyl-4-propan-2-yloxy-1-benzofuran-6-carboxamide
SMILESCC(C)Oc1cc(C(=O)NC2CC2)cc2oc(Br)cc12
InChIInChI=1S/C15H16BrNO3/c1-8(2)19-12-5-9(15(18)17-10-3-4-10)6-13-11(12)7-14(16)20-13/h5-8,10H,3-4H2,1-2H3,(H,17,18)
InChIKeyNXKADJQQPDSGJH-UHFFFAOYSA-N
MW338.20 g/mol
LogP3.87
Rot. Bonds4

About 2-bromo-N-cyclopropyl-4-propan-2-yloxy-1-benzofuran-6-carboxamide

2-bromo-N-cyclopropyl-4-propan-2-yloxy-1-benzofuran-6-carboxamide (PubChem CID 91958249) has the molecular formula C15H16BrNO3 and a molecular weight of 338.20 g/mol. Its IUPAC name is 2-bromo-N-cyclopropyl-4-propan-2-yloxy-1-benzofuran-6-carboxamide.

Molecular Properties

Compound Name2-bromo-N-cyclopropyl-4-propan-2-yloxy-1-benzofuran-6-carboxamide
PubChem CID91958249
Molecular FormulaC15H16BrNO3
Molecular Weight338.20 g/mol
Exact Mass337.03
IUPAC Name2-bromo-N-cyclopropyl-4-propan-2-yloxy-1-benzofuran-6-carboxamide
SMILESCC(C)Oc1cc(C(=O)NC2CC2)cc2oc(Br)cc12
InChIInChI=1S/C15H16BrNO3/c1-8(2)19-12-5-9(15(18)17-10-3-4-10)6-13-11(12)7-14(16)20-13/h5-8,10H,3-4H2,1-2H3,(H,17,18)
InChIKeyNXKADJQQPDSGJH-UHFFFAOYSA-N
XLogP3.87
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopropyl-4-propan-2-yloxy-1-benzofuran-6-carboxamide?
The IUPAC name of 2-bromo-N-cyclopropyl-4-propan-2-yloxy-1-benzofuran-6-carboxamide (CID 91958249) is 2-bromo-N-cyclopropyl-4-propan-2-yloxy-1-benzofuran-6-carboxamide.
What is the SMILES notation for 2-bromo-N-cyclopropyl-4-propan-2-yloxy-1-benzofuran-6-carboxamide?
The canonical SMILES for 2-bromo-N-cyclopropyl-4-propan-2-yloxy-1-benzofuran-6-carboxamide is CC(C)Oc1cc(C(=O)NC2CC2)cc2oc(Br)cc12.
What is the InChIKey of 2-bromo-N-cyclopropyl-4-propan-2-yloxy-1-benzofuran-6-carboxamide?
The InChIKey is NXKADJQQPDSGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3/c1-8(2)19-12-5-9(15(18)17-10-3-4-10)6-13-11(12)7-14(16)20-13/h5-8,10H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 2-bromo-N-cyclopropyl-4-propan-2-yloxy-1-benzofuran-6-carboxamide?
2-bromo-N-cyclopropyl-4-propan-2-yloxy-1-benzofuran-6-carboxamide has a molecular weight of 338.20 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopropyl-4-propan-2-yloxy-1-benzofuran-6-carboxamide is sourced from PubChem (CID 91958249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).