2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide

C10H11BrN2O2 — CID 63679913

IUPAC2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
SMILESN#CCCN(Cc1ccco1)C(=O)CBr
InChIInChI=1S/C10H11BrN2O2/c11-7-10(14)13(5-2-4-12)8-9-3-1-6-15-9/h1,3,6H,2,5,7-8H2
InChIKeyAJWDUNWYDGWQOJ-UHFFFAOYSA-N
MW271.11 g/mol
LogP1.92
Rot. Bonds5

About 2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide

2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 63679913) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is 2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
PubChem CID63679913
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC Name2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
SMILESN#CCCN(Cc1ccco1)C(=O)CBr
InChIInChI=1S/C10H11BrN2O2/c11-7-10(14)13(5-2-4-12)8-9-3-1-6-15-9/h1,3,6H,2,5,7-8H2
InChIKeyAJWDUNWYDGWQOJ-UHFFFAOYSA-N
XLogP1.92
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 60520035
4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 54874085
2-(tert-butylamino)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 78923666
4-(bromomethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 102851366
2-amino-N-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]acetamide
CID 54874146
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(propylamino)acetamide
CID 60687664
2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)furan-3-carboxamide
CID 106853587
3,5-dibromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 103908367
2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylbutanamide
CID 79805676
N-(2-cyanoethyl)-2-(2,6-dimethylanilino)-N-(furan-2-ylmethyl)acetamide
CID 86910776
3-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 60654625
N-(2-cyanoethyl)-2-[(4-ethylphenyl)methyl-methylamino]-N-(furan-2-ylmethyl)acetamide
CID 39973191

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide (CID 63679913) is 2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide is N#CCCN(Cc1ccco1)C(=O)CBr.
What is the InChIKey of 2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is AJWDUNWYDGWQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c11-7-10(14)13(5-2-4-12)8-9-3-1-6-15-9/h1,3,6H,2,5,7-8H2.
What are the key properties of 2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide?
2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 271.11 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 63679913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).