N-(2-bromoprop-2-enyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide

C14H14BrNO2 — CID 47439324

IUPACN-(2-bromoprop-2-enyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
SMILESC=C(Br)CNC(=O)Cc1coc2cc(C)ccc12
InChIInChI=1S/C14H14BrNO2/c1-9-3-4-12-11(8-18-13(12)5-9)6-14(17)16-7-10(2)15/h3-5,8H,2,6-7H2,1H3,(H,16,17)
InChIKeyVVHXXOGELMKNNP-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.31
Rot. Bonds4

About N-(2-bromoprop-2-enyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide

N-(2-bromoprop-2-enyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide (PubChem CID 47439324) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
PubChem CID47439324
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC NameN-(2-bromoprop-2-enyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
SMILESC=C(Br)CNC(=O)Cc1coc2cc(C)ccc12
InChIInChI=1S/C14H14BrNO2/c1-9-3-4-12-11(8-18-13(12)5-9)6-14(17)16-7-10(2)15/h3-5,8H,2,6-7H2,1H3,(H,16,17)
InChIKeyVVHXXOGELMKNNP-UHFFFAOYSA-N
XLogP3.31
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-ethylanilino)-2-oxoethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 26905155
N-(2-bromoprop-2-enyl)-2-(2,5-dimethylphenyl)acetamide
CID 115609084
N,N-dimethyl-4-[[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]methyl]benzamide
CID 134039170
N-(4-hydroxy-2-methylbutyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 66107127
2-(6-methyl-1-benzofuran-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 6460690
N-(3,5-dichlorophenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 3968592
N-[2-(4-methoxyphenyl)ethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 2107129
4-methoxy-N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 18872308
2-(6-methyl-1-benzofuran-3-yl)-N-(1H-pyrazol-5-yl)acetamide
CID 61393726
N-(2-chlorophenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 2600753
2-[4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]phenyl]acetamide
CID 31856404
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 7872035

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide (CID 47439324) is N-(2-bromoprop-2-enyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide is C=C(Br)CNC(=O)Cc1coc2cc(C)ccc12.
What is the InChIKey of N-(2-bromoprop-2-enyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The InChIKey is VVHXXOGELMKNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-9-3-4-12-11(8-18-13(12)5-9)6-14(17)16-7-10(2)15/h3-5,8H,2,6-7H2,1H3,(H,16,17).
What are the key properties of N-(2-bromoprop-2-enyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide?
N-(2-bromoprop-2-enyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide has a molecular weight of 308.18 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 47439324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).