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N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3,4-difluorobenzamide

C19H20F2N2O2 — CID 90557903

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3,4-difluorobenzamide
SMILESCN(C)C(CNC(=O)c1ccc(F)c(F)c1)c1ccc2c(c1)CCO2
InChIInChI=1S/C19H20F2N2O2/c1-23(2)17(12-4-6-18-13(9-12)7-8-25-18)11-22-19(24)14-3-5-15(20)16(21)10-14/h3-6,9-10,17H,7-8,11H2,1-2H3,(H,22,24)
InChIKeyZELIDPAAFZSYOS-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.93
Rot. Bonds5

About N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3,4-difluorobenzamide

N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3,4-difluorobenzamide (PubChem CID 90557903) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3,4-difluorobenzamide
PubChem CID90557903
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC NameN-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3,4-difluorobenzamide
SMILESCN(C)C(CNC(=O)c1ccc(F)c(F)c1)c1ccc2c(c1)CCO2
InChIInChI=1S/C19H20F2N2O2/c1-23(2)17(12-4-6-18-13(9-12)7-8-25-18)11-22-19(24)14-3-5-15(20)16(21)10-14/h3-6,9-10,17H,7-8,11H2,1-2H3,(H,22,24)
InChIKeyZELIDPAAFZSYOS-UHFFFAOYSA-N
XLogP2.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3,4-difluorobenzamide?
The IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3,4-difluorobenzamide (CID 90557903) is N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3,4-difluorobenzamide is CN(C)C(CNC(=O)c1ccc(F)c(F)c1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3,4-difluorobenzamide?
The InChIKey is ZELIDPAAFZSYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c1-23(2)17(12-4-6-18-13(9-12)7-8-25-18)11-22-19(24)14-3-5-15(20)16(21)10-14/h3-6,9-10,17H,7-8,11H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3,4-difluorobenzamide?
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3,4-difluorobenzamide has a molecular weight of 346.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3,4-difluorobenzamide is sourced from PubChem (CID 90557903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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