2-pyrrolidin-3-yl-N-(2,3,5,6-tetrafluorophenyl)acetamide

C12H12F4N2O — CID 107641614

IUPAC2-pyrrolidin-3-yl-N-(2,3,5,6-tetrafluorophenyl)acetamide
SMILESO=C(CC1CCNC1)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C12H12F4N2O/c13-7-4-8(14)11(16)12(10(7)15)18-9(19)3-6-1-2-17-5-6/h4,6,17H,1-3,5H2,(H,18,19)
InChIKeySHXMZRQFGSVUDM-UHFFFAOYSA-N
MW276.23 g/mol
LogP2.18
Rot. Bonds3

About 2-pyrrolidin-3-yl-N-(2,3,5,6-tetrafluorophenyl)acetamide

2-pyrrolidin-3-yl-N-(2,3,5,6-tetrafluorophenyl)acetamide (PubChem CID 107641614) has the molecular formula C12H12F4N2O and a molecular weight of 276.23 g/mol. Its IUPAC name is 2-pyrrolidin-3-yl-N-(2,3,5,6-tetrafluorophenyl)acetamide.

Molecular Properties

Compound Name2-pyrrolidin-3-yl-N-(2,3,5,6-tetrafluorophenyl)acetamide
PubChem CID107641614
Molecular FormulaC12H12F4N2O
Molecular Weight276.23 g/mol
Exact Mass276.09
IUPAC Name2-pyrrolidin-3-yl-N-(2,3,5,6-tetrafluorophenyl)acetamide
SMILESO=C(CC1CCNC1)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C12H12F4N2O/c13-7-4-8(14)11(16)12(10(7)15)18-9(19)3-6-1-2-17-5-6/h4,6,17H,1-3,5H2,(H,18,19)
InChIKeySHXMZRQFGSVUDM-UHFFFAOYSA-N
XLogP2.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.23
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-6-fluorophenyl)-2-pyrrolidin-3-ylacetamide
CID 107600000
N-(3-bromo-4-fluorophenyl)-2-pyrrolidin-3-ylacetamide
CID 113452141
N-(2-fluoro-3-methylphenyl)-2-pyrrolidin-3-ylacetamide
CID 114254707
2,4-difluoro-5-[(2-piperidin-3-ylacetyl)amino]benzoic acid
CID 62675414
N-(6-fluoro-3-pyridinyl)-2-pyrrolidin-3-ylacetamide
CID 104954698
N-pyrimidin-5-yl-2-pyrrolidin-3-ylacetamide
CID 107588558
N-(2,4-difluorophenyl)-2-piperidin-4-ylacetamide
CID 24692446
2-(azetidin-3-yl)-N-(2-bromo-4,6-difluorophenyl)acetamide
CID 64616549
N-(4-bromo-2,5-difluorophenyl)-2-piperidin-4-ylacetamide
CID 107611674
N-(2-hydroxy-6-nitrophenyl)-2-pyrrolidin-3-ylacetamide
CID 107680976
N-(3-fluoro-4-methylphenyl)-2-piperidin-4-ylacetamide
CID 24690499
N-(4-bromo-2-fluorophenyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119673443

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-yl-N-(2,3,5,6-tetrafluorophenyl)acetamide?
The IUPAC name of 2-pyrrolidin-3-yl-N-(2,3,5,6-tetrafluorophenyl)acetamide (CID 107641614) is 2-pyrrolidin-3-yl-N-(2,3,5,6-tetrafluorophenyl)acetamide.
What is the SMILES notation for 2-pyrrolidin-3-yl-N-(2,3,5,6-tetrafluorophenyl)acetamide?
The canonical SMILES for 2-pyrrolidin-3-yl-N-(2,3,5,6-tetrafluorophenyl)acetamide is O=C(CC1CCNC1)Nc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 2-pyrrolidin-3-yl-N-(2,3,5,6-tetrafluorophenyl)acetamide?
The InChIKey is SHXMZRQFGSVUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F4N2O/c13-7-4-8(14)11(16)12(10(7)15)18-9(19)3-6-1-2-17-5-6/h4,6,17H,1-3,5H2,(H,18,19).
What are the key properties of 2-pyrrolidin-3-yl-N-(2,3,5,6-tetrafluorophenyl)acetamide?
2-pyrrolidin-3-yl-N-(2,3,5,6-tetrafluorophenyl)acetamide has a molecular weight of 276.23 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-yl-N-(2,3,5,6-tetrafluorophenyl)acetamide is sourced from PubChem (CID 107641614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).