2-(2-bromo-4,5-diethoxyphenyl)-N-(furan-2-ylmethyl)acetamide

C17H20BrNO4 — CID 51204584

IUPAC2-(2-bromo-4,5-diethoxyphenyl)-N-(furan-2-ylmethyl)acetamide
SMILESCCOc1cc(Br)c(CC(=O)NCc2ccco2)cc1OCC
InChIInChI=1S/C17H20BrNO4/c1-3-21-15-8-12(14(18)10-16(15)22-4-2)9-17(20)19-11-13-6-5-7-23-13/h5-8,10H,3-4,9,11H2,1-2H3,(H,19,20)
InChIKeyFITXNSFIQPBWOF-UHFFFAOYSA-N
MW382.25 g/mol
LogP3.70
Rot. Bonds8

About 2-(2-bromo-4,5-diethoxyphenyl)-N-(furan-2-ylmethyl)acetamide

2-(2-bromo-4,5-diethoxyphenyl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 51204584) has the molecular formula C17H20BrNO4 and a molecular weight of 382.25 g/mol. Its IUPAC name is 2-(2-bromo-4,5-diethoxyphenyl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4,5-diethoxyphenyl)-N-(furan-2-ylmethyl)acetamide
PubChem CID51204584
Molecular FormulaC17H20BrNO4
Molecular Weight382.25 g/mol
Exact Mass381.06
IUPAC Name2-(2-bromo-4,5-diethoxyphenyl)-N-(furan-2-ylmethyl)acetamide
SMILESCCOc1cc(Br)c(CC(=O)NCc2ccco2)cc1OCC
InChIInChI=1S/C17H20BrNO4/c1-3-21-15-8-12(14(18)10-16(15)22-4-2)9-17(20)19-11-13-6-5-7-23-13/h5-8,10H,3-4,9,11H2,1-2H3,(H,19,20)
InChIKeyFITXNSFIQPBWOF-UHFFFAOYSA-N
XLogP3.70
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)propanamide
CID 78805596
3-ethoxy-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 35808851
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 38404664
2-(2-bromo-4,5-diethoxyphenyl)-N-cyclopentyl-N-(furan-2-ylmethyl)acetamide
CID 55587746
2-(2-bromo-4,5-diethoxyphenyl)-N-(2-phenoxyethyl)acetamide
CID 32933896
methyl 4-[[[2-(2-bromo-4,5-diethoxyphenyl)acetyl]amino]methyl]benzoate
CID 55386442
2-(2-bromo-4,5-diethoxyphenyl)-N-[(2-nitrophenyl)methyl]acetamide
CID 55798813
N-(2-amino-2-methylpropyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide
CID 119626386
[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-bromo-4-ethoxy-5-methoxybenzoate
CID 7456674
2-(3-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 112977702
2-(5-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)acetamide
CID 110774439
N-(furan-2-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)acetamide
CID 110767919

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,5-diethoxyphenyl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-bromo-4,5-diethoxyphenyl)-N-(furan-2-ylmethyl)acetamide (CID 51204584) is 2-(2-bromo-4,5-diethoxyphenyl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4,5-diethoxyphenyl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-bromo-4,5-diethoxyphenyl)-N-(furan-2-ylmethyl)acetamide is CCOc1cc(Br)c(CC(=O)NCc2ccco2)cc1OCC.
What is the InChIKey of 2-(2-bromo-4,5-diethoxyphenyl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is FITXNSFIQPBWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO4/c1-3-21-15-8-12(14(18)10-16(15)22-4-2)9-17(20)19-11-13-6-5-7-23-13/h5-8,10H,3-4,9,11H2,1-2H3,(H,19,20).
What are the key properties of 2-(2-bromo-4,5-diethoxyphenyl)-N-(furan-2-ylmethyl)acetamide?
2-(2-bromo-4,5-diethoxyphenyl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 382.25 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,5-diethoxyphenyl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 51204584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).