4-bromo-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran;N-ethylpropanamide

C16H22BrNO2 — CID 143927613

IUPAC4-bromo-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran;N-ethylpropanamide
SMILESBrc1cc2c(c3c1OCC3)CCC2.CCNC(=O)CC
InChIInChI=1S/C11H11BrO.C5H11NO/c12-10-6-7-2-1-3-8(7)9-4-5-13-11(9)10;1-3-5(7)6-4-2/h6H,1-5H2;3-4H2,1-2H3,(H,6,7)
InChIKeyCTEBFMWYULACLE-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.41
Rot. Bonds2

About 4-bromo-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran;N-ethylpropanamide

4-bromo-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran;N-ethylpropanamide (PubChem CID 143927613) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 4-bromo-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran;N-ethylpropanamide.

Molecular Properties

Compound Name4-bromo-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran;N-ethylpropanamide
PubChem CID143927613
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name4-bromo-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran;N-ethylpropanamide
SMILESBrc1cc2c(c3c1OCC3)CCC2.CCNC(=O)CC
InChIInChI=1S/C11H11BrO.C5H11NO/c12-10-6-7-2-1-3-8(7)9-4-5-13-11(9)10;1-3-5(7)6-4-2/h6H,1-5H2;3-4H2,1-2H3,(H,6,7)
InChIKeyCTEBFMWYULACLE-UHFFFAOYSA-N
XLogP3.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5,7-dibromo-2,3-dihydro-1-benzofuran-4-yl)acetamide;pentane
CID 144855943
methyl 7-bromo-2,3-dihydro-1-benzofuran-5-carboxylate
CID 131617097
methyl 5-bromo-4-chloro-2,3-dihydro-1-benzofuran-7-carboxylate
CID 135377329
7-bromo-2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 83899521
(2R)-2-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylcarbamoylamino]butanoic acid
CID 104703218
1-(9-bromo-2,3,4,5-tetrahydro-1-benzoxepin-7-yl)-2-methylpropan-1-one
CID 82251830
N-[2-(4-fluoro-2,6-dihydro-1H-furo[3,2-e]indol-8-yl)ethyl]propanamide
CID 44626256
N-[2-[(8R)-4-methoxy-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]prop-2-enyl]propanamide
CID 143927615
5-bromo-N-propyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 56800587
(7-bromo-2,3-dihydro-1-benzofuran-5-yl)methanol
CID 66545161
1-(7-bromo-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)butan-1-one
CID 82251833
2-(4-bromo-5-methyl-2,3-dihydro-1-benzofuran-7-yl)acetamide
CID 175908737

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran;N-ethylpropanamide?
The IUPAC name of 4-bromo-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran;N-ethylpropanamide (CID 143927613) is 4-bromo-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran;N-ethylpropanamide.
What is the SMILES notation for 4-bromo-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran;N-ethylpropanamide?
The canonical SMILES for 4-bromo-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran;N-ethylpropanamide is Brc1cc2c(c3c1OCC3)CCC2.CCNC(=O)CC.
What is the InChIKey of 4-bromo-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran;N-ethylpropanamide?
The InChIKey is CTEBFMWYULACLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO.C5H11NO/c12-10-6-7-2-1-3-8(7)9-4-5-13-11(9)10;1-3-5(7)6-4-2/h6H,1-5H2;3-4H2,1-2H3,(H,6,7).
What are the key properties of 4-bromo-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran;N-ethylpropanamide?
4-bromo-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran;N-ethylpropanamide has a molecular weight of 340.26 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran;N-ethylpropanamide is sourced from PubChem (CID 143927613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).