2-bromo-N-(cyanomethyl)-N-methylfuran-3-carboxamide

C8H7BrN2O2 — CID 106852111

IUPAC2-bromo-N-(cyanomethyl)-N-methylfuran-3-carboxamide
SMILESCN(CC#N)C(=O)c1ccoc1Br
InChIInChI=1S/C8H7BrN2O2/c1-11(4-3-10)8(12)6-2-5-13-7(6)9/h2,5H,4H2,1H3
InChIKeyMOINCYGMWGKVIK-UHFFFAOYSA-N
MW243.06 g/mol
LogP1.64
Rot. Bonds2

About 2-bromo-N-(cyanomethyl)-N-methylfuran-3-carboxamide

2-bromo-N-(cyanomethyl)-N-methylfuran-3-carboxamide (PubChem CID 106852111) has the molecular formula C8H7BrN2O2 and a molecular weight of 243.06 g/mol. Its IUPAC name is 2-bromo-N-(cyanomethyl)-N-methylfuran-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(cyanomethyl)-N-methylfuran-3-carboxamide
PubChem CID106852111
Molecular FormulaC8H7BrN2O2
Molecular Weight243.06 g/mol
Exact Mass241.97
IUPAC Name2-bromo-N-(cyanomethyl)-N-methylfuran-3-carboxamide
SMILESCN(CC#N)C(=O)c1ccoc1Br
InChIInChI=1S/C8H7BrN2O2/c1-11(4-3-10)8(12)6-2-5-13-7(6)9/h2,5H,4H2,1H3
InChIKeyMOINCYGMWGKVIK-UHFFFAOYSA-N
XLogP1.64
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.06
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-cyano-N-methylfuran-3-carboxamide
CID 130615092
2-bromo-N-(cyanomethyl)-N-cyclopentylfuran-3-carboxamide
CID 106852142
2-bromo-N-(3-bromopropyl)-N-methylfuran-3-carboxamide
CID 106441118
2-bromo-N-methyl-N-(pyridin-4-ylmethyl)furan-3-carboxamide
CID 106852639
2-bromo-N-[(3-hydroxyphenyl)methyl]-N-methylfuran-3-carboxamide
CID 106853584
2-bromo-N-[(3-bromophenyl)methyl]-N-methylfuran-3-carboxamide
CID 106852279
2-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylfuran-3-carboxamide
CID 106854337
2-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylfuran-3-carboxamide
CID 106853533
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-bromo-N-methylfuran-3-carboxamide
CID 106855764
2-bromo-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-3-carboxamide
CID 106853464
2-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)furan-3-carboxamide
CID 106853803
2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]furan-3-carboxamide
CID 106853385

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(cyanomethyl)-N-methylfuran-3-carboxamide?
The IUPAC name of 2-bromo-N-(cyanomethyl)-N-methylfuran-3-carboxamide (CID 106852111) is 2-bromo-N-(cyanomethyl)-N-methylfuran-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(cyanomethyl)-N-methylfuran-3-carboxamide?
The canonical SMILES for 2-bromo-N-(cyanomethyl)-N-methylfuran-3-carboxamide is CN(CC#N)C(=O)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-(cyanomethyl)-N-methylfuran-3-carboxamide?
The InChIKey is MOINCYGMWGKVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O2/c1-11(4-3-10)8(12)6-2-5-13-7(6)9/h2,5H,4H2,1H3.
What are the key properties of 2-bromo-N-(cyanomethyl)-N-methylfuran-3-carboxamide?
2-bromo-N-(cyanomethyl)-N-methylfuran-3-carboxamide has a molecular weight of 243.06 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(cyanomethyl)-N-methylfuran-3-carboxamide is sourced from PubChem (CID 106852111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).