5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-2-fluoro-N,N-dimethylbenzamide

C19H21FN2O2 — CID 75499742

IUPAC5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-2-fluoro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cc(NCCc2ccc3c(c2)CCO3)ccc1F
InChIInChI=1S/C19H21FN2O2/c1-22(2)19(23)16-12-15(4-5-17(16)20)21-9-7-13-3-6-18-14(11-13)8-10-24-18/h3-6,11-12,21H,7-10H2,1-2H3
InChIKeyWYOMYTFODVSTIA-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.12
Rot. Bonds5

About 5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-2-fluoro-N,N-dimethylbenzamide

5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-2-fluoro-N,N-dimethylbenzamide (PubChem CID 75499742) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-2-fluoro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-2-fluoro-N,N-dimethylbenzamide
PubChem CID75499742
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-2-fluoro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cc(NCCc2ccc3c(c2)CCO3)ccc1F
InChIInChI=1S/C19H21FN2O2/c1-22(2)19(23)16-12-15(4-5-17(16)20)21-9-7-13-3-6-18-14(11-13)8-10-24-18/h3-6,11-12,21H,7-10H2,1-2H3
InChIKeyWYOMYTFODVSTIA-UHFFFAOYSA-N
XLogP3.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-fluoroaniline
CID 65444846
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-fluoro-4-(methylsulfonylmethyl)aniline
CID 75521794
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1,3-benzodioxol-5-amine
CID 65431228
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,3,4-trifluoroaniline
CID 65430652
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-fluoro-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 86950651
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,6-difluoroaniline
CID 65429911
(2S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-hydroxypropanamide
CID 99829015
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-fluoro-4-methylaniline
CID 65431409
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-fluoro-2,3-dimethoxybenzamide
CID 119045460
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,3,5-trifluoroaniline
CID 65447108
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5-fluoro-2-methylaniline
CID 65431040
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 110792404

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-2-fluoro-N,N-dimethylbenzamide?
The IUPAC name of 5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-2-fluoro-N,N-dimethylbenzamide (CID 75499742) is 5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-2-fluoro-N,N-dimethylbenzamide.
What is the SMILES notation for 5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-2-fluoro-N,N-dimethylbenzamide?
The canonical SMILES for 5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-2-fluoro-N,N-dimethylbenzamide is CN(C)C(=O)c1cc(NCCc2ccc3c(c2)CCO3)ccc1F.
What is the InChIKey of 5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-2-fluoro-N,N-dimethylbenzamide?
The InChIKey is WYOMYTFODVSTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-22(2)19(23)16-12-15(4-5-17(16)20)21-9-7-13-3-6-18-14(11-13)8-10-24-18/h3-6,11-12,21H,7-10H2,1-2H3.
What are the key properties of 5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-2-fluoro-N,N-dimethylbenzamide?
5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-2-fluoro-N,N-dimethylbenzamide has a molecular weight of 328.39 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-2-fluoro-N,N-dimethylbenzamide is sourced from PubChem (CID 75499742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).