5-bromo-N-ethyl-2-methylfuran-3-carboxamide

C8H10BrNO2 — CID 130987082

IUPAC5-bromo-N-ethyl-2-methylfuran-3-carboxamide
SMILESCCNC(=O)c1cc(Br)oc1C
InChIInChI=1S/C8H10BrNO2/c1-3-10-8(11)6-4-7(9)12-5(6)2/h4H,3H2,1-2H3,(H,10,11)
InChIKeyBKHLKKJGRJSUNI-UHFFFAOYSA-N
MW232.08 g/mol
LogP2.10
Rot. Bonds2

About 5-bromo-N-ethyl-2-methylfuran-3-carboxamide

5-bromo-N-ethyl-2-methylfuran-3-carboxamide (PubChem CID 130987082) has the molecular formula C8H10BrNO2 and a molecular weight of 232.08 g/mol. Its IUPAC name is 5-bromo-N-ethyl-2-methylfuran-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-ethyl-2-methylfuran-3-carboxamide
PubChem CID130987082
Molecular FormulaC8H10BrNO2
Molecular Weight232.08 g/mol
Exact Mass230.99
IUPAC Name5-bromo-N-ethyl-2-methylfuran-3-carboxamide
SMILESCCNC(=O)c1cc(Br)oc1C
InChIInChI=1S/C8H10BrNO2/c1-3-10-8(11)6-4-7(9)12-5(6)2/h4H,3H2,1-2H3,(H,10,11)
InChIKeyBKHLKKJGRJSUNI-UHFFFAOYSA-N
XLogP2.10
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-amino-1-oxopropan-2-yl]-5-bromo-2-methylfuran-3-carboxamide
CID 130961965
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CID 119013862
2-amino-5-bromo-N-ethyl-3-methylbenzamide
CID 169100332
2-[(2,5-dimethylfuran-3-carbonyl)amino]ethyl-dimethylazanium
CID 7346584
2-bromo-5-chloro-N-ethylbenzamide
CID 18630175
5-bromo-N-ethyl-2-iodobenzamide
CID 47100033
2,5-dimethyl-N-prop-2-enylfuran-3-carboxamide
CID 60653753
methyl 5-bromo-2-propylfuran-3-carboxylate
CID 156693350
N-[2-(ethylamino)ethyl]-2-methyl-5-(methylsulfamoyl)furan-3-carboxamide
CID 119507697
N-[2-[(2-chloroacetyl)amino]ethyl]-2,5-dimethylfuran-3-carboxamide
CID 166429368
2-amino-4-bromo-N-ethyl-5-fluorobenzamide
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5-amino-2-bromo-N-ethyl-4-fluorobenzamide
CID 62831065

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-2-methylfuran-3-carboxamide?
The IUPAC name of 5-bromo-N-ethyl-2-methylfuran-3-carboxamide (CID 130987082) is 5-bromo-N-ethyl-2-methylfuran-3-carboxamide.
What is the SMILES notation for 5-bromo-N-ethyl-2-methylfuran-3-carboxamide?
The canonical SMILES for 5-bromo-N-ethyl-2-methylfuran-3-carboxamide is CCNC(=O)c1cc(Br)oc1C.
What is the InChIKey of 5-bromo-N-ethyl-2-methylfuran-3-carboxamide?
The InChIKey is BKHLKKJGRJSUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2/c1-3-10-8(11)6-4-7(9)12-5(6)2/h4H,3H2,1-2H3,(H,10,11).
What are the key properties of 5-bromo-N-ethyl-2-methylfuran-3-carboxamide?
5-bromo-N-ethyl-2-methylfuran-3-carboxamide has a molecular weight of 232.08 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-2-methylfuran-3-carboxamide is sourced from PubChem (CID 130987082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).