N-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide

C17H17FN2O3 — CID 4818793

IUPACN-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc2c(c1)OCO2)Cc1ccccc1F
InChIInChI=1S/C17H17FN2O3/c1-20(9-12-4-2-3-5-14(12)18)10-17(21)19-13-6-7-15-16(8-13)23-11-22-15/h2-8H,9-11H2,1H3,(H,19,21)
InChIKeyYJIZCLXPBPLOJR-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.62
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide

N-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide (PubChem CID 4818793) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
PubChem CID4818793
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc2c(c1)OCO2)Cc1ccccc1F
InChIInChI=1S/C17H17FN2O3/c1-20(9-12-4-2-3-5-14(12)18)10-17(21)19-13-6-7-15-16(8-13)23-11-22-15/h2-8H,9-11H2,1H3,(H,19,21)
InChIKeyYJIZCLXPBPLOJR-UHFFFAOYSA-N
XLogP2.62
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-acetyl-2-fluoroanilino)-N-(1,3-benzodioxol-5-yl)acetamide
CID 113170871
(2S)-N-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517821
N-(1,3-benzodioxol-5-yl)-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
CID 43909035
N-(3-acetylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 9034829
2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 2594208
2-[(2-fluorophenyl)methyl-methylamino]-N-(3-methylsulfanylphenyl)acetamide
CID 18078744
N-(3,5-dimethoxyphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 18078741
N-(1,3-benzodioxol-5-yl)-N'-(2,6-difluorophenyl)propanediamide
CID 108956702
N-(1,3-benzodioxol-5-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 9433749
N-(1,3-benzodioxol-5-yl)-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide
CID 113157671
2-[(2,3-difluorophenyl)methyl-ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 24508655
2-[acetyl(methyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 39087396

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide (CID 4818793) is N-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide is CN(CC(=O)Nc1ccc2c(c1)OCO2)Cc1ccccc1F.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide?
The InChIKey is YJIZCLXPBPLOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-20(9-12-4-2-3-5-14(12)18)10-17(21)19-13-6-7-15-16(8-13)23-11-22-15/h2-8H,9-11H2,1H3,(H,19,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide has a molecular weight of 316.33 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 4818793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).