5-bromo-N-(1-cyanoethyl)furan-2-carboxamide

C8H7BrN2O2 — CID 61119457

IUPAC5-bromo-N-(1-cyanoethyl)furan-2-carboxamide
SMILESCC(C#N)NC(=O)c1ccc(Br)o1
InChIInChI=1S/C8H7BrN2O2/c1-5(4-10)11-8(12)6-2-3-7(9)13-6/h2-3,5H,1H3,(H,11,12)
InChIKeyKRIICQJTMLJIDI-UHFFFAOYSA-N
MW243.06 g/mol
LogP1.68
Rot. Bonds2

About 5-bromo-N-(1-cyanoethyl)furan-2-carboxamide

5-bromo-N-(1-cyanoethyl)furan-2-carboxamide (PubChem CID 61119457) has the molecular formula C8H7BrN2O2 and a molecular weight of 243.06 g/mol. Its IUPAC name is 5-bromo-N-(1-cyanoethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-cyanoethyl)furan-2-carboxamide
PubChem CID61119457
Molecular FormulaC8H7BrN2O2
Molecular Weight243.06 g/mol
Exact Mass241.97
IUPAC Name5-bromo-N-(1-cyanoethyl)furan-2-carboxamide
SMILESCC(C#N)NC(=O)c1ccc(Br)o1
InChIInChI=1S/C8H7BrN2O2/c1-5(4-10)11-8(12)6-2-3-7(9)13-6/h2-3,5H,1H3,(H,11,12)
InChIKeyKRIICQJTMLJIDI-UHFFFAOYSA-N
XLogP1.68
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.06
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-bromofuran-2-yl)-2-methyl-3-oxopropanenitrile
CID 43157289
5-bromo-N-(5-methylhexan-2-yl)furan-2-carboxamide
CID 55028916
3-[(5-bromofuran-2-carbonyl)amino]butanoic acid
CID 43240633
methyl (2S)-2-[(5-bromofuran-2-carbonyl)amino]propanoate
CID 47337332
5-bromo-N-(4-hydroxybutan-2-yl)furan-2-carboxamide
CID 81049675
5-bromo-N-[(2R)-2-[(5-bromofuran-2-carbonyl)amino]propyl]furan-2-carboxamide
CID 2292970
5-bromo-N-(1-bromo-3-methylbutan-2-yl)furan-2-carboxamide
CID 114316037
5-bromo-N-(1-cyclopropylethyl)furan-2-carboxamide
CID 60668708
5-bromo-N-(3-methyl-2-oxobutyl)furan-2-carboxamide
CID 64997202
(2R)-2-[(5-bromofuran-2-carbonyl)amino]-4-methylpentanoic acid
CID 30077278
5-bromo-N-(1-hydroxy-4-methylpentan-3-yl)furan-2-carboxamide
CID 103750870
5-bromo-N-(4-methylsulfinylbutan-2-yl)furan-2-carboxamide
CID 115667810

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-cyanoethyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(1-cyanoethyl)furan-2-carboxamide (CID 61119457) is 5-bromo-N-(1-cyanoethyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-cyanoethyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(1-cyanoethyl)furan-2-carboxamide is CC(C#N)NC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(1-cyanoethyl)furan-2-carboxamide?
The InChIKey is KRIICQJTMLJIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O2/c1-5(4-10)11-8(12)6-2-3-7(9)13-6/h2-3,5H,1H3,(H,11,12).
What are the key properties of 5-bromo-N-(1-cyanoethyl)furan-2-carboxamide?
5-bromo-N-(1-cyanoethyl)furan-2-carboxamide has a molecular weight of 243.06 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-cyanoethyl)furan-2-carboxamide is sourced from PubChem (CID 61119457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).