2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(3,4-difluorophenyl)acetamide

C14H17F2N3O — CID 60972159

IUPAC2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(3,4-difluorophenyl)acetamide
SMILESO=C(CN1CC2CNCC2C1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C14H17F2N3O/c15-12-2-1-11(3-13(12)16)18-14(20)8-19-6-9-4-17-5-10(9)7-19/h1-3,9-10,17H,4-8H2,(H,18,20)
InChIKeyIUTQOSBITHHPPR-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.05
Rot. Bonds3

About 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(3,4-difluorophenyl)acetamide

2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(3,4-difluorophenyl)acetamide (PubChem CID 60972159) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(3,4-difluorophenyl)acetamide
PubChem CID60972159
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(3,4-difluorophenyl)acetamide
SMILESO=C(CN1CC2CNCC2C1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C14H17F2N3O/c15-12-2-1-11(3-13(12)16)18-14(20)8-19-6-9-4-17-5-10(9)7-19/h1-3,9-10,17H,4-8H2,(H,18,20)
InChIKeyIUTQOSBITHHPPR-UHFFFAOYSA-N
XLogP1.05
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2,4-difluorophenyl)acetamide
CID 60972273
2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2-fluorophenyl)acetamide;hydrochloride
CID 120663957
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2,5-dichlorophenyl)acetamide
CID 60972401
2-(azetidin-3-ylmethylsulfanyl)-N-(3,4-difluorophenyl)acetamide
CID 66289509
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2-chloro-4-fluorophenyl)acetamide
CID 60972510
N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3,4-difluorophenyl)acetamide;hydrochloride
CID 120728308
N-(3,4-difluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119914369
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
(3aS,6aR)-2-[2-(3,4-difluoroanilino)-2-oxoethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120680930
N-(3,4-difluorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728541
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(4-iodo-2-methylphenyl)acetamide
CID 60973242

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(3,4-difluorophenyl)acetamide (CID 60972159) is 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(3,4-difluorophenyl)acetamide is O=C(CN1CC2CNCC2C1)Nc1ccc(F)c(F)c1.
What is the InChIKey of 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(3,4-difluorophenyl)acetamide?
The InChIKey is IUTQOSBITHHPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c15-12-2-1-11(3-13(12)16)18-14(20)8-19-6-9-4-17-5-10(9)7-19/h1-3,9-10,17H,4-8H2,(H,18,20).
What are the key properties of 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(3,4-difluorophenyl)acetamide?
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(3,4-difluorophenyl)acetamide has a molecular weight of 281.31 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 60972159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).