2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)furan-3-carboxamide

C13H11BrN2O3 — CID 106853587

IUPAC2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)furan-3-carboxamide
SMILESN#CCCN(Cc1ccco1)C(=O)c1ccoc1Br
InChIInChI=1S/C13H11BrN2O3/c14-12-11(4-8-19-12)13(17)16(6-2-5-15)9-10-3-1-7-18-10/h1,3-4,7-8H,2,6,9H2
InChIKeyVVIOPKGCGZLWFU-UHFFFAOYSA-N
MW323.15 g/mol
LogP3.19
Rot. Bonds5

About 2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)furan-3-carboxamide

2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)furan-3-carboxamide (PubChem CID 106853587) has the molecular formula C13H11BrN2O3 and a molecular weight of 323.15 g/mol. Its IUPAC name is 2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)furan-3-carboxamide
PubChem CID106853587
Molecular FormulaC13H11BrN2O3
Molecular Weight323.15 g/mol
Exact Mass322.00
IUPAC Name2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)furan-3-carboxamide
SMILESN#CCCN(Cc1ccco1)C(=O)c1ccoc1Br
InChIInChI=1S/C13H11BrN2O3/c14-12-11(4-8-19-12)13(17)16(6-2-5-15)9-10-3-1-7-18-10/h1,3-4,7-8H,2,6,9H2
InChIKeyVVIOPKGCGZLWFU-UHFFFAOYSA-N
XLogP3.19
TPSA70.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dibromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 114371715
3,5-dibromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 103908367
2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 63679913
3-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 60654625
4-(bromomethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 102851366
4-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-1-methylpyrrole-2-carboxamide
CID 60701981
2,5-dichloro-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)pyridine-4-carboxamide
CID 114917928
4-(chloromethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 60948719
4-tert-butyl-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 60519774
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 60520035
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 60654683
2-amino-N-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]acetamide
CID 54874146

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)furan-3-carboxamide?
The IUPAC name of 2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)furan-3-carboxamide (CID 106853587) is 2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)furan-3-carboxamide is N#CCCN(Cc1ccco1)C(=O)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)furan-3-carboxamide?
The InChIKey is VVIOPKGCGZLWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O3/c14-12-11(4-8-19-12)13(17)16(6-2-5-15)9-10-3-1-7-18-10/h1,3-4,7-8H,2,6,9H2.
What are the key properties of 2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)furan-3-carboxamide?
2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)furan-3-carboxamide has a molecular weight of 323.15 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)furan-3-carboxamide is sourced from PubChem (CID 106853587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).