5-bromo-N-pentan-2-yl-1-benzofuran-2-carboxamide

C14H16BrNO2 — CID 46430131

IUPAC5-bromo-N-pentan-2-yl-1-benzofuran-2-carboxamide
SMILESCCCC(C)NC(=O)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C14H16BrNO2/c1-3-4-9(2)16-14(17)13-8-10-7-11(15)5-6-12(10)18-13/h5-9H,3-4H2,1-2H3,(H,16,17)
InChIKeyVXRJKSOGPCHBBA-UHFFFAOYSA-N
MW310.19 g/mol
LogP4.11
Rot. Bonds4

About 5-bromo-N-pentan-2-yl-1-benzofuran-2-carboxamide

5-bromo-N-pentan-2-yl-1-benzofuran-2-carboxamide (PubChem CID 46430131) has the molecular formula C14H16BrNO2 and a molecular weight of 310.19 g/mol. Its IUPAC name is 5-bromo-N-pentan-2-yl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-pentan-2-yl-1-benzofuran-2-carboxamide
PubChem CID46430131
Molecular FormulaC14H16BrNO2
Molecular Weight310.19 g/mol
Exact Mass309.04
IUPAC Name5-bromo-N-pentan-2-yl-1-benzofuran-2-carboxamide
SMILESCCCC(C)NC(=O)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C14H16BrNO2/c1-3-4-9(2)16-14(17)13-8-10-7-11(15)5-6-12(10)18-13/h5-9H,3-4H2,1-2H3,(H,16,17)
InChIKeyVXRJKSOGPCHBBA-UHFFFAOYSA-N
XLogP4.11
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-butan-2-yl-1-benzofuran-2-carboxamide
CID 19225413
N-(3-aminobutyl)-5-bromo-1-benzofuran-2-carboxamide;hydrochloride
CID 119494957
5-bromo-N-[2-(methylamino)propyl]-1-benzofuran-2-carboxamide
CID 120830399
5-bromo-N-[2-(methylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 120830398
5-bromo-N-pentyl-1-benzofuran-2-carboxamide
CID 19225268
5-bromo-N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 55798246
2-[(5-bromo-1-benzofuran-2-carbonyl)amino]-2-methylbutanoic acid
CID 119198892
5-bromo-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide
CID 110280533
5-bromo-N-(2,6-diethylphenyl)-1-benzofuran-2-carboxamide
CID 19225293
5-bromo-2-fluoro-N-pentan-2-ylbenzamide
CID 24700042
N-[3-(aminomethyl)pentan-3-yl]-5-bromo-1-benzofuran-2-carboxamide;hydrochloride
CID 119568785
5-amino-N-octan-4-yl-1-benzofuran-2-carboxamide
CID 106021592

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-pentan-2-yl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-N-pentan-2-yl-1-benzofuran-2-carboxamide (CID 46430131) is 5-bromo-N-pentan-2-yl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-pentan-2-yl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-pentan-2-yl-1-benzofuran-2-carboxamide is CCCC(C)NC(=O)c1cc2cc(Br)ccc2o1.
What is the InChIKey of 5-bromo-N-pentan-2-yl-1-benzofuran-2-carboxamide?
The InChIKey is VXRJKSOGPCHBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2/c1-3-4-9(2)16-14(17)13-8-10-7-11(15)5-6-12(10)18-13/h5-9H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 5-bromo-N-pentan-2-yl-1-benzofuran-2-carboxamide?
5-bromo-N-pentan-2-yl-1-benzofuran-2-carboxamide has a molecular weight of 310.19 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-pentan-2-yl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 46430131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).