5-bromo-N-(2-ethoxyethyl)-N-methylfuran-2-carboxamide

C10H14BrNO3 — CID 81055957

IUPAC5-bromo-N-(2-ethoxyethyl)-N-methylfuran-2-carboxamide
SMILESCCOCCN(C)C(=O)c1ccc(Br)o1
InChIInChI=1S/C10H14BrNO3/c1-3-14-7-6-12(2)10(13)8-4-5-9(11)15-8/h4-5H,3,6-7H2,1-2H3
InChIKeyAPSQTXSEMDQDTA-UHFFFAOYSA-N
MW276.13 g/mol
LogP2.15
Rot. Bonds5

About 5-bromo-N-(2-ethoxyethyl)-N-methylfuran-2-carboxamide

5-bromo-N-(2-ethoxyethyl)-N-methylfuran-2-carboxamide (PubChem CID 81055957) has the molecular formula C10H14BrNO3 and a molecular weight of 276.13 g/mol. Its IUPAC name is 5-bromo-N-(2-ethoxyethyl)-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-ethoxyethyl)-N-methylfuran-2-carboxamide
PubChem CID81055957
Molecular FormulaC10H14BrNO3
Molecular Weight276.13 g/mol
Exact Mass275.02
IUPAC Name5-bromo-N-(2-ethoxyethyl)-N-methylfuran-2-carboxamide
SMILESCCOCCN(C)C(=O)c1ccc(Br)o1
InChIInChI=1S/C10H14BrNO3/c1-3-14-7-6-12(2)10(13)8-4-5-9(11)15-8/h4-5H,3,6-7H2,1-2H3
InChIKeyAPSQTXSEMDQDTA-UHFFFAOYSA-N
XLogP2.15
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(aminomethyl)-N-(2-ethoxyethyl)-N-methylfuran-2-carboxamide
CID 81058548
3-[(5-bromofuran-2-carbonyl)-methylamino]propanoic acid
CID 60989511
5-bromo-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide
CID 111695876
5-bromo-N-(2-ethoxyethyl)-N-methyl-4-sulfamoylfuran-2-carboxamide
CID 81074713
3,5-dibromo-N-(2-ethoxyethyl)-N-methylbenzamide
CID 103909435
3-[[2-[(5-bromofuran-2-carbonyl)-methylamino]acetyl]-methylamino]propanoic acid
CID 119232624
5-bromo-N-[2-(furan-2-yl)ethyl]-N-methylfuran-2-carboxamide
CID 110745445
5-bromo-N-(2-ethoxyethyl)-N-methylthiophene-2-carboxamide
CID 81055207
N-(2-ethoxyethyl)-N-methylbenzamide
CID 81074695
5-bromo-N,N-dibutylfuran-2-carboxamide
CID 3627667
1-(5-bromofuran-2-yl)-2-propoxyethanone
CID 115783145
5-bromo-N-methyl-N-(2-methylbutan-2-yl)furan-2-carboxamide
CID 63958932

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-ethoxyethyl)-N-methylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-ethoxyethyl)-N-methylfuran-2-carboxamide (CID 81055957) is 5-bromo-N-(2-ethoxyethyl)-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-ethoxyethyl)-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-ethoxyethyl)-N-methylfuran-2-carboxamide is CCOCCN(C)C(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(2-ethoxyethyl)-N-methylfuran-2-carboxamide?
The InChIKey is APSQTXSEMDQDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3/c1-3-14-7-6-12(2)10(13)8-4-5-9(11)15-8/h4-5H,3,6-7H2,1-2H3.
What are the key properties of 5-bromo-N-(2-ethoxyethyl)-N-methylfuran-2-carboxamide?
5-bromo-N-(2-ethoxyethyl)-N-methylfuran-2-carboxamide has a molecular weight of 276.13 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-ethoxyethyl)-N-methylfuran-2-carboxamide is sourced from PubChem (CID 81055957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).