5-(2-bromoacetyl)-N-ethyl-N-(furan-3-ylmethyl)furan-2-carboxamide

C14H14BrNO4 — CID 21269978

IUPAC5-(2-bromoacetyl)-N-ethyl-N-(furan-3-ylmethyl)furan-2-carboxamide
SMILESCCN(Cc1ccoc1)C(=O)c1ccc(C(=O)CBr)o1
InChIInChI=1S/C14H14BrNO4/c1-2-16(8-10-5-6-19-9-10)14(18)13-4-3-12(20-13)11(17)7-15/h3-6,9H,2,7-8H2,1H3
InChIKeyKARHJDDUEDRHLY-UHFFFAOYSA-N
MW340.17 g/mol
LogP3.11
Rot. Bonds6

About 5-(2-bromoacetyl)-N-ethyl-N-(furan-3-ylmethyl)furan-2-carboxamide

5-(2-bromoacetyl)-N-ethyl-N-(furan-3-ylmethyl)furan-2-carboxamide (PubChem CID 21269978) has the molecular formula C14H14BrNO4 and a molecular weight of 340.17 g/mol. Its IUPAC name is 5-(2-bromoacetyl)-N-ethyl-N-(furan-3-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-bromoacetyl)-N-ethyl-N-(furan-3-ylmethyl)furan-2-carboxamide
PubChem CID21269978
Molecular FormulaC14H14BrNO4
Molecular Weight340.17 g/mol
Exact Mass339.01
IUPAC Name5-(2-bromoacetyl)-N-ethyl-N-(furan-3-ylmethyl)furan-2-carboxamide
SMILESCCN(Cc1ccoc1)C(=O)c1ccc(C(=O)CBr)o1
InChIInChI=1S/C14H14BrNO4/c1-2-16(8-10-5-6-19-9-10)14(18)13-4-3-12(20-13)11(17)7-15/h3-6,9H,2,7-8H2,1H3
InChIKeyKARHJDDUEDRHLY-UHFFFAOYSA-N
XLogP3.11
TPSA63.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-acetyl-N-ethyl-N-(furan-3-ylmethyl)furan-2-carboxamide
CID 21269988
3-[ethyl(furan-3-ylmethyl)carbamoyl]benzoic acid
CID 75482711
5-(bromomethyl)-N,N-diethylfuran-2-carboxamide
CID 134860219
2-amino-N-ethyl-N-(furan-3-ylmethyl)pentanamide
CID 86784232
1-ethyl-1-(furan-3-ylmethyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111507357
N-ethyl-N-(furan-3-ylmethyl)-3-(4-methylphenyl)prop-2-enamide
CID 67511764
5-bromo-N-(2-bromoethyl)-N-ethylfuran-2-carboxamide
CID 80660635
1-(5-ethylfuran-2-yl)-2-(furan-3-yl)ethanone
CID 115795803
5-bromo-N-[3-(diethylamino)propyl]-N-ethylfuran-2-carboxamide
CID 102993497
1-ethyl-1-(furan-3-ylmethyl)-3-[(2R)-2-methoxy-2-phenylethyl]urea
CID 95637612
2-(furan-3-yl)-1-(5-methylfuran-2-yl)ethanone
CID 115795779
methyl 3-[ethyl(furan-3-ylmethyl)amino]propanoate
CID 78918049

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromoacetyl)-N-ethyl-N-(furan-3-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-(2-bromoacetyl)-N-ethyl-N-(furan-3-ylmethyl)furan-2-carboxamide (CID 21269978) is 5-(2-bromoacetyl)-N-ethyl-N-(furan-3-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-(2-bromoacetyl)-N-ethyl-N-(furan-3-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-(2-bromoacetyl)-N-ethyl-N-(furan-3-ylmethyl)furan-2-carboxamide is CCN(Cc1ccoc1)C(=O)c1ccc(C(=O)CBr)o1.
What is the InChIKey of 5-(2-bromoacetyl)-N-ethyl-N-(furan-3-ylmethyl)furan-2-carboxamide?
The InChIKey is KARHJDDUEDRHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO4/c1-2-16(8-10-5-6-19-9-10)14(18)13-4-3-12(20-13)11(17)7-15/h3-6,9H,2,7-8H2,1H3.
What are the key properties of 5-(2-bromoacetyl)-N-ethyl-N-(furan-3-ylmethyl)furan-2-carboxamide?
5-(2-bromoacetyl)-N-ethyl-N-(furan-3-ylmethyl)furan-2-carboxamide has a molecular weight of 340.17 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromoacetyl)-N-ethyl-N-(furan-3-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 21269978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).