2-bromo-N-(2-methylpropyl)-4-propan-2-yloxy-1-benzofuran-6-carboxamide

C16H20BrNO3 — CID 91958277

IUPAC2-bromo-N-(2-methylpropyl)-4-propan-2-yloxy-1-benzofuran-6-carboxamide
SMILESCC(C)CNC(=O)c1cc(OC(C)C)c2cc(Br)oc2c1
InChIInChI=1S/C16H20BrNO3/c1-9(2)8-18-16(19)11-5-13(20-10(3)4)12-7-15(17)21-14(12)6-11/h5-7,9-10H,8H2,1-4H3,(H,18,19)
InChIKeyOKXKVGCTPLLPAS-UHFFFAOYSA-N
MW354.24 g/mol
LogP4.37
Rot. Bonds5

About 2-bromo-N-(2-methylpropyl)-4-propan-2-yloxy-1-benzofuran-6-carboxamide

2-bromo-N-(2-methylpropyl)-4-propan-2-yloxy-1-benzofuran-6-carboxamide (PubChem CID 91958277) has the molecular formula C16H20BrNO3 and a molecular weight of 354.24 g/mol. Its IUPAC name is 2-bromo-N-(2-methylpropyl)-4-propan-2-yloxy-1-benzofuran-6-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2-methylpropyl)-4-propan-2-yloxy-1-benzofuran-6-carboxamide
PubChem CID91958277
Molecular FormulaC16H20BrNO3
Molecular Weight354.24 g/mol
Exact Mass353.06
IUPAC Name2-bromo-N-(2-methylpropyl)-4-propan-2-yloxy-1-benzofuran-6-carboxamide
SMILESCC(C)CNC(=O)c1cc(OC(C)C)c2cc(Br)oc2c1
InChIInChI=1S/C16H20BrNO3/c1-9(2)8-18-16(19)11-5-13(20-10(3)4)12-7-15(17)21-14(12)6-11/h5-7,9-10H,8H2,1-4H3,(H,18,19)
InChIKeyOKXKVGCTPLLPAS-UHFFFAOYSA-N
XLogP4.37
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methylpropyl)-4-propan-2-yloxy-1-benzofuran-6-carboxamide?
The IUPAC name of 2-bromo-N-(2-methylpropyl)-4-propan-2-yloxy-1-benzofuran-6-carboxamide (CID 91958277) is 2-bromo-N-(2-methylpropyl)-4-propan-2-yloxy-1-benzofuran-6-carboxamide.
What is the SMILES notation for 2-bromo-N-(2-methylpropyl)-4-propan-2-yloxy-1-benzofuran-6-carboxamide?
The canonical SMILES for 2-bromo-N-(2-methylpropyl)-4-propan-2-yloxy-1-benzofuran-6-carboxamide is CC(C)CNC(=O)c1cc(OC(C)C)c2cc(Br)oc2c1.
What is the InChIKey of 2-bromo-N-(2-methylpropyl)-4-propan-2-yloxy-1-benzofuran-6-carboxamide?
The InChIKey is OKXKVGCTPLLPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO3/c1-9(2)8-18-16(19)11-5-13(20-10(3)4)12-7-15(17)21-14(12)6-11/h5-7,9-10H,8H2,1-4H3,(H,18,19).
What are the key properties of 2-bromo-N-(2-methylpropyl)-4-propan-2-yloxy-1-benzofuran-6-carboxamide?
2-bromo-N-(2-methylpropyl)-4-propan-2-yloxy-1-benzofuran-6-carboxamide has a molecular weight of 354.24 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methylpropyl)-4-propan-2-yloxy-1-benzofuran-6-carboxamide is sourced from PubChem (CID 91958277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).