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

C13H14F2N2O4 — CID 66435503

IUPACN-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-morpholin-2-ylacetamide
SMILESO=C(CC1CNCCO1)Nc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C13H14F2N2O4/c14-13(15)20-10-2-1-8(5-11(10)21-13)17-12(18)6-9-7-16-3-4-19-9/h1-2,5,9,16H,3-4,6-7H2,(H,17,18)
InChIKeyGKGWXKADGWKNRO-UHFFFAOYSA-N
MW300.26 g/mol
LogP1.33
Rot. Bonds3

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

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-morpholin-2-ylacetamide (PubChem CID 66435503) has the molecular formula C13H14F2N2O4 and a molecular weight of 300.26 g/mol. Its IUPAC name is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-morpholin-2-ylacetamide.

Molecular Properties

Compound NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-morpholin-2-ylacetamide
PubChem CID66435503
Molecular FormulaC13H14F2N2O4
Molecular Weight300.26 g/mol
Exact Mass300.09
IUPAC NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-morpholin-2-ylacetamide
SMILESO=C(CC1CNCCO1)Nc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C13H14F2N2O4/c14-13(15)20-10-2-1-8(5-11(10)21-13)17-12(18)6-9-7-16-3-4-19-9/h1-2,5,9,16H,3-4,6-7H2,(H,17,18)
InChIKeyGKGWXKADGWKNRO-UHFFFAOYSA-N
XLogP1.33
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119669231
N-(3,5-difluorophenyl)-2-morpholin-2-ylacetamide
CID 66433764
N-(3,4-dichlorophenyl)-2-morpholin-2-ylacetamide
CID 66435697
N-(4-bromo-3-fluorophenyl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119706261
N-(3-iodo-4-methylphenyl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119680387
N-(3-bromo-4-methylphenyl)-2-morpholin-2-ylacetamide
CID 66427265
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-morpholin-2-ylacetamide
CID 66434951
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyrrolidin-2-ylacetamide
CID 61371585
N-(3-cyano-4-fluorophenyl)-2-morpholin-2-ylacetamide
CID 66427683
2-morpholin-2-yl-N-phenylacetamide;hydrochloride
CID 119670265
N-[4-(diethylamino)phenyl]-2-morpholin-2-ylacetamide
CID 66434949
2-chloro-4-[(2-morpholin-2-ylacetyl)amino]benzamide
CID 66429113

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-morpholin-2-ylacetamide?
The IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-morpholin-2-ylacetamide (CID 66435503) is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-morpholin-2-ylacetamide.
What is the SMILES notation for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-morpholin-2-ylacetamide?
The canonical SMILES for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-morpholin-2-ylacetamide is O=C(CC1CNCCO1)Nc1ccc2c(c1)OC(F)(F)O2.
What is the InChIKey of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-morpholin-2-ylacetamide?
The InChIKey is GKGWXKADGWKNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O4/c14-13(15)20-10-2-1-8(5-11(10)21-13)17-12(18)6-9-7-16-3-4-19-9/h1-2,5,9,16H,3-4,6-7H2,(H,17,18).
What are the key properties of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-morpholin-2-ylacetamide?
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-morpholin-2-ylacetamide has a molecular weight of 300.26 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-morpholin-2-ylacetamide is sourced from PubChem (CID 66435503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).