2-[4-(difluoromethoxy)phenyl]-N-pyrrolidin-3-ylacetamide

C13H16F2N2O2 — CID 119451451

IUPAC2-[4-(difluoromethoxy)phenyl]-N-pyrrolidin-3-ylacetamide
SMILESO=C(Cc1ccc(OC(F)F)cc1)NC1CCNC1
InChIInChI=1S/C13H16F2N2O2/c14-13(15)19-11-3-1-9(2-4-11)7-12(18)17-10-5-6-16-8-10/h1-4,10,13,16H,5-8H2,(H,17,18)
InChIKeyHRIZZIVZUMIEHH-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.31
Rot. Bonds5

About 2-[4-(difluoromethoxy)phenyl]-N-pyrrolidin-3-ylacetamide

2-[4-(difluoromethoxy)phenyl]-N-pyrrolidin-3-ylacetamide (PubChem CID 119451451) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-N-pyrrolidin-3-ylacetamide
PubChem CID119451451
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name2-[4-(difluoromethoxy)phenyl]-N-pyrrolidin-3-ylacetamide
SMILESO=C(Cc1ccc(OC(F)F)cc1)NC1CCNC1
InChIInChI=1S/C13H16F2N2O2/c14-13(15)19-11-3-1-9(2-4-11)7-12(18)17-10-5-6-16-8-10/h1-4,10,13,16H,5-8H2,(H,17,18)
InChIKeyHRIZZIVZUMIEHH-UHFFFAOYSA-N
XLogP1.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(difluoromethoxy)phenyl]-N-piperidin-4-ylacetamide
CID 119387703
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(difluoromethoxy)phenyl]acetamide
CID 119456975
2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide
CID 43603662
2-(4-chlorophenyl)-N-pyrrolidin-3-ylacetamide
CID 62379159
2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 79688083
N-[(3S)-pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 79688212
N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119452098
2-[4-(difluoromethoxy)phenyl]-1-(2-methylpiperazin-1-yl)ethanone
CID 119471466
2-(4-ethylphenoxy)-N-pyrrolidin-3-ylacetamide
CID 119450074
2-[4-(difluoromethylsulfonyl)phenyl]-N-piperidin-3-ylacetamide
CID 119426046
2-(4-methylphenyl)-N-[(3R)-piperidin-3-yl]acetamide
CID 113436646
4-[2-oxo-2-(pyrrolidin-3-ylamino)ethoxy]benzamide
CID 119451956

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-pyrrolidin-3-ylacetamide?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-pyrrolidin-3-ylacetamide (CID 119451451) is 2-[4-(difluoromethoxy)phenyl]-N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-N-pyrrolidin-3-ylacetamide?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-N-pyrrolidin-3-ylacetamide is O=C(Cc1ccc(OC(F)F)cc1)NC1CCNC1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-N-pyrrolidin-3-ylacetamide?
The InChIKey is HRIZZIVZUMIEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c14-13(15)19-11-3-1-9(2-4-11)7-12(18)17-10-5-6-16-8-10/h1-4,10,13,16H,5-8H2,(H,17,18).
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-N-pyrrolidin-3-ylacetamide?
2-[4-(difluoromethoxy)phenyl]-N-pyrrolidin-3-ylacetamide has a molecular weight of 270.28 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-N-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 119451451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).