2-bromo-N-[2-(furan-2-yl)ethyl]acetamide

C8H10BrNO2 — CID 63679731

IUPAC2-bromo-N-[2-(furan-2-yl)ethyl]acetamide
SMILESO=C(CBr)NCCc1ccco1
InChIInChI=1S/C8H10BrNO2/c9-6-8(11)10-4-3-7-2-1-5-12-7/h1-2,5H,3-4,6H2,(H,10,11)
InChIKeyZWHYTEVJNYMIBN-UHFFFAOYSA-N
MW232.08 g/mol
LogP1.33
Rot. Bonds4

About 2-bromo-N-[2-(furan-2-yl)ethyl]acetamide

2-bromo-N-[2-(furan-2-yl)ethyl]acetamide (PubChem CID 63679731) has the molecular formula C8H10BrNO2 and a molecular weight of 232.08 g/mol. Its IUPAC name is 2-bromo-N-[2-(furan-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[2-(furan-2-yl)ethyl]acetamide
PubChem CID63679731
Molecular FormulaC8H10BrNO2
Molecular Weight232.08 g/mol
Exact Mass230.99
IUPAC Name2-bromo-N-[2-(furan-2-yl)ethyl]acetamide
SMILESO=C(CBr)NCCc1ccco1
InChIInChI=1S/C8H10BrNO2/c9-6-8(11)10-4-3-7-2-1-5-12-7/h1-2,5H,3-4,6H2,(H,10,11)
InChIKeyZWHYTEVJNYMIBN-UHFFFAOYSA-N
XLogP1.33
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[2-[2-(furan-2-yl)ethylamino]-2-oxoethyl]acetamide
CID 60847606
N-[2-(furan-2-yl)ethyl]-4-hydroxypentanamide
CID 79201221
3-(ethylamino)-N-[2-(furan-2-yl)ethyl]propanamide
CID 62831565
N-[2-(furan-2-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 110733528
2-chloro-N-[2-(furan-2-yl)ethylcarbamoyl]acetamide
CID 61471395
2-(2-chlorophenoxy)-N-[2-(furan-2-yl)ethyl]acetamide
CID 18111286
N-[2-(furan-2-yl)ethyl]-2-methylprop-2-enamide
CID 178173949
N-[2-(furan-2-yl)ethyl]cyclopentanecarboxamide
CID 110733508
5-[2-(furan-2-yl)ethylamino]-3-methyl-5-oxopentanoic acid
CID 55155984
2-[2-[2-(furan-2-yl)ethylcarbamoylamino]ethoxy]acetic acid
CID 79463732
N-(2-aminoethyl)-3-(furan-2-yl)propanamide
CID 28779702
(2S)-2-amino-N-[2-(furan-2-yl)ethyl]propanamide
CID 61147120

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(furan-2-yl)ethyl]acetamide?
The IUPAC name of 2-bromo-N-[2-(furan-2-yl)ethyl]acetamide (CID 63679731) is 2-bromo-N-[2-(furan-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-bromo-N-[2-(furan-2-yl)ethyl]acetamide?
The canonical SMILES for 2-bromo-N-[2-(furan-2-yl)ethyl]acetamide is O=C(CBr)NCCc1ccco1.
What is the InChIKey of 2-bromo-N-[2-(furan-2-yl)ethyl]acetamide?
The InChIKey is ZWHYTEVJNYMIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2/c9-6-8(11)10-4-3-7-2-1-5-12-7/h1-2,5H,3-4,6H2,(H,10,11).
What are the key properties of 2-bromo-N-[2-(furan-2-yl)ethyl]acetamide?
2-bromo-N-[2-(furan-2-yl)ethyl]acetamide has a molecular weight of 232.08 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(furan-2-yl)ethyl]acetamide is sourced from PubChem (CID 63679731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).