N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyrrolidin-2-ylacetamide

C13H14F2N2O3 — CID 61371585

IUPACN-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)Nc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C13H14F2N2O3/c14-13(15)19-10-4-3-9(6-11(10)20-13)17-12(18)7-8-2-1-5-16-8/h3-4,6,8,16H,1-2,5,7H2,(H,17,18)
InChIKeySWKIKUJFAPONLX-UHFFFAOYSA-N
MW284.26 g/mol
LogP2.09
Rot. Bonds3

About N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyrrolidin-2-ylacetamide

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyrrolidin-2-ylacetamide (PubChem CID 61371585) has the molecular formula C13H14F2N2O3 and a molecular weight of 284.26 g/mol. Its IUPAC name is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyrrolidin-2-ylacetamide
PubChem CID61371585
Molecular FormulaC13H14F2N2O3
Molecular Weight284.26 g/mol
Exact Mass284.10
IUPAC NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)Nc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C13H14F2N2O3/c14-13(15)19-10-4-3-9(6-11(10)20-13)17-12(18)7-8-2-1-5-16-8/h3-4,6,8,16H,1-2,5,7H2,(H,17,18)
InChIKeySWKIKUJFAPONLX-UHFFFAOYSA-N
XLogP2.09
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-piperidin-2-ylacetamide
CID 43151261
N-(3-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371784
2,2-difluoro-N-(piperidin-2-ylmethyl)-1,3-benzodioxol-5-amine
CID 106632861
2-cyclopent-2-en-1-yl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
CID 18204023
N-(3,4-dihydro-2H-chromen-6-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119767368
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-morpholin-2-ylacetamide
CID 66435503
N-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670651
N-(4-chloro-3-fluorophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119708349
N-(4-acetamidophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119669050
N-(3-acetamido-4-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61364257
2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
CID 24690664
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-pyrrolidin-2-ylacetamide
CID 61370404

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyrrolidin-2-ylacetamide (CID 61371585) is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyrrolidin-2-ylacetamide is O=C(CC1CCCN1)Nc1ccc2c(c1)OC(F)(F)O2.
What is the InChIKey of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyrrolidin-2-ylacetamide?
The InChIKey is SWKIKUJFAPONLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O3/c14-13(15)19-10-4-3-9(6-11(10)20-13)17-12(18)7-8-2-1-5-16-8/h3-4,6,8,16H,1-2,5,7H2,(H,17,18).
What are the key properties of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyrrolidin-2-ylacetamide?
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyrrolidin-2-ylacetamide has a molecular weight of 284.26 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 61371585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).