3-cyano-N-[1-(furan-2-yl)propan-2-yl]benzamide

C15H14N2O2 — CID 47168870

IUPAC3-cyano-N-[1-(furan-2-yl)propan-2-yl]benzamide
SMILESCC(Cc1ccco1)NC(=O)c1cccc(C#N)c1
InChIInChI=1S/C15H14N2O2/c1-11(8-14-6-3-7-19-14)17-15(18)13-5-2-4-12(9-13)10-16/h2-7,9,11H,8H2,1H3,(H,17,18)
InChIKeyDXBJLWUBYCXGBQ-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.51
Rot. Bonds4

About 3-cyano-N-[1-(furan-2-yl)propan-2-yl]benzamide

3-cyano-N-[1-(furan-2-yl)propan-2-yl]benzamide (PubChem CID 47168870) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-cyano-N-[1-(furan-2-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[1-(furan-2-yl)propan-2-yl]benzamide
PubChem CID47168870
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name3-cyano-N-[1-(furan-2-yl)propan-2-yl]benzamide
SMILESCC(Cc1ccco1)NC(=O)c1cccc(C#N)c1
InChIInChI=1S/C15H14N2O2/c1-11(8-14-6-3-7-19-14)17-15(18)13-5-2-4-12(9-13)10-16/h2-7,9,11H,8H2,1H3,(H,17,18)
InChIKeyDXBJLWUBYCXGBQ-UHFFFAOYSA-N
XLogP2.51
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[1-(furan-2-yl)propan-2-yl]benzamide?
The IUPAC name of 3-cyano-N-[1-(furan-2-yl)propan-2-yl]benzamide (CID 47168870) is 3-cyano-N-[1-(furan-2-yl)propan-2-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[1-(furan-2-yl)propan-2-yl]benzamide?
The canonical SMILES for 3-cyano-N-[1-(furan-2-yl)propan-2-yl]benzamide is CC(Cc1ccco1)NC(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-[1-(furan-2-yl)propan-2-yl]benzamide?
The InChIKey is DXBJLWUBYCXGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-11(8-14-6-3-7-19-14)17-15(18)13-5-2-4-12(9-13)10-16/h2-7,9,11H,8H2,1H3,(H,17,18).
What are the key properties of 3-cyano-N-[1-(furan-2-yl)propan-2-yl]benzamide?
3-cyano-N-[1-(furan-2-yl)propan-2-yl]benzamide has a molecular weight of 254.29 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[1-(furan-2-yl)propan-2-yl]benzamide is sourced from PubChem (CID 47168870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).