N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-cyano-2-methylpropanamide

C13H13ClN2O2 — CID 75508966

IUPACN-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-cyano-2-methylpropanamide
SMILESCC(C)(C#N)C(=O)Nc1cc(Cl)cc2c1OCC2
InChIInChI=1S/C13H13ClN2O2/c1-13(2,7-15)12(17)16-10-6-9(14)5-8-3-4-18-11(8)10/h5-6H,3-4H2,1-2H3,(H,16,17)
InChIKeyKULNDNREADTSAA-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.76
Rot. Bonds2

About N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-cyano-2-methylpropanamide

N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-cyano-2-methylpropanamide (PubChem CID 75508966) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-cyano-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-cyano-2-methylpropanamide
PubChem CID75508966
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC NameN-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-cyano-2-methylpropanamide
SMILESCC(C)(C#N)C(=O)Nc1cc(Cl)cc2c1OCC2
InChIInChI=1S/C13H13ClN2O2/c1-13(2,7-15)12(17)16-10-6-9(14)5-8-3-4-18-11(8)10/h5-6H,3-4H2,1-2H3,(H,16,17)
InChIKeyKULNDNREADTSAA-UHFFFAOYSA-N
XLogP2.76
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-cyano-2-methylpropanamide?
The IUPAC name of N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-cyano-2-methylpropanamide (CID 75508966) is N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-cyano-2-methylpropanamide.
What is the SMILES notation for N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-cyano-2-methylpropanamide?
The canonical SMILES for N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-cyano-2-methylpropanamide is CC(C)(C#N)C(=O)Nc1cc(Cl)cc2c1OCC2.
What is the InChIKey of N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-cyano-2-methylpropanamide?
The InChIKey is KULNDNREADTSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-13(2,7-15)12(17)16-10-6-9(14)5-8-3-4-18-11(8)10/h5-6H,3-4H2,1-2H3,(H,16,17).
What are the key properties of N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-cyano-2-methylpropanamide?
N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-cyano-2-methylpropanamide has a molecular weight of 264.71 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-cyano-2-methylpropanamide is sourced from PubChem (CID 75508966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).