2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide

C19H24FN3O2 — CID 91767930

IUPAC2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide
SMILESCN(C)C1CCN(CC(=O)NCc2ccc(-c3ccc(F)cc3)o2)C1
InChIInChI=1S/C19H24FN3O2/c1-22(2)16-9-10-23(12-16)13-19(24)21-11-17-7-8-18(25-17)14-3-5-15(20)6-4-14/h3-8,16H,9-13H2,1-2H3,(H,21,24)
InChIKeyUWHYWXXGQCLXLN-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.34
Rot. Bonds6

About 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide

2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide (PubChem CID 91767930) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide
PubChem CID91767930
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide
SMILESCN(C)C1CCN(CC(=O)NCc2ccc(-c3ccc(F)cc3)o2)C1
InChIInChI=1S/C19H24FN3O2/c1-22(2)16-9-10-23(12-16)13-19(24)21-11-17-7-8-18(25-17)14-3-5-15(20)6-4-14/h3-8,16H,9-13H2,1-2H3,(H,21,24)
InChIKeyUWHYWXXGQCLXLN-UHFFFAOYSA-N
XLogP2.34
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide?
The IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide (CID 91767930) is 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide is CN(C)C1CCN(CC(=O)NCc2ccc(-c3ccc(F)cc3)o2)C1.
What is the InChIKey of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide?
The InChIKey is UWHYWXXGQCLXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-22(2)16-9-10-23(12-16)13-19(24)21-11-17-7-8-18(25-17)14-3-5-15(20)6-4-14/h3-8,16H,9-13H2,1-2H3,(H,21,24).
What are the key properties of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide?
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide has a molecular weight of 345.42 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide is sourced from PubChem (CID 91767930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).