N-(6-bromo-2,3-dihydro-1-benzofuran-3-yl)acetamide

C10H10BrNO2 — CID 165396334

IUPACN-(6-bromo-2,3-dihydro-1-benzofuran-3-yl)acetamide
SMILESCC(=O)NC1COc2cc(Br)ccc21
InChIInChI=1S/C10H10BrNO2/c1-6(13)12-9-5-14-10-4-7(11)2-3-8(9)10/h2-4,9H,5H2,1H3,(H,12,13)
InChIKeyKVHCPZUDLZQKPW-UHFFFAOYSA-N
MW256.10 g/mol
LogP2.02
Rot. Bonds1

About N-(6-bromo-2,3-dihydro-1-benzofuran-3-yl)acetamide

N-(6-bromo-2,3-dihydro-1-benzofuran-3-yl)acetamide (PubChem CID 165396334) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is N-(6-bromo-2,3-dihydro-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(6-bromo-2,3-dihydro-1-benzofuran-3-yl)acetamide
PubChem CID165396334
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC NameN-(6-bromo-2,3-dihydro-1-benzofuran-3-yl)acetamide
SMILESCC(=O)NC1COc2cc(Br)ccc21
InChIInChI=1S/C10H10BrNO2/c1-6(13)12-9-5-14-10-4-7(11)2-3-8(9)10/h2-4,9H,5H2,1H3,(H,12,13)
InChIKeyKVHCPZUDLZQKPW-UHFFFAOYSA-N
XLogP2.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2,3-dihydro-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-(6-bromo-2,3-dihydro-1-benzofuran-3-yl)acetamide (CID 165396334) is N-(6-bromo-2,3-dihydro-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(6-bromo-2,3-dihydro-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-(6-bromo-2,3-dihydro-1-benzofuran-3-yl)acetamide is CC(=O)NC1COc2cc(Br)ccc21.
What is the InChIKey of N-(6-bromo-2,3-dihydro-1-benzofuran-3-yl)acetamide?
The InChIKey is KVHCPZUDLZQKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2/c1-6(13)12-9-5-14-10-4-7(11)2-3-8(9)10/h2-4,9H,5H2,1H3,(H,12,13).
What are the key properties of N-(6-bromo-2,3-dihydro-1-benzofuran-3-yl)acetamide?
N-(6-bromo-2,3-dihydro-1-benzofuran-3-yl)acetamide has a molecular weight of 256.10 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2,3-dihydro-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 165396334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).