2-[2-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide

C15H20F2N2O2 — CID 119535561

IUPAC2-[2-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide
SMILESO=C(Cc1ccccc1OC(F)F)NCCC1CCNC1
InChIInChI=1S/C15H20F2N2O2/c16-15(17)21-13-4-2-1-3-12(13)9-14(20)19-8-6-11-5-7-18-10-11/h1-4,11,15,18H,5-10H2,(H,19,20)
InChIKeySGKPFOJCFAECOK-UHFFFAOYSA-N
MW298.33 g/mol
LogP1.95
Rot. Bonds7

About 2-[2-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide

2-[2-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide (PubChem CID 119535561) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide
PubChem CID119535561
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name2-[2-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide
SMILESO=C(Cc1ccccc1OC(F)F)NCCC1CCNC1
InChIInChI=1S/C15H20F2N2O2/c16-15(17)21-13-4-2-1-3-12(13)9-14(20)19-8-6-11-5-7-18-10-11/h1-4,11,15,18H,5-10H2,(H,19,20)
InChIKeySGKPFOJCFAECOK-UHFFFAOYSA-N
XLogP1.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(difluoromethoxy)phenyl]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119461994
2-(2-methylphenyl)-N-[2-[(3R)-pyrrolidin-3-yl]ethyl]acetamide
CID 98571226
2-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60895170
2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119260587
2-(2,3-difluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119537007
3-(difluoromethoxy)-4-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119534962
2-(2-hydroxyphenyl)-N-(2-piperidin-4-ylethyl)acetamide
CID 80740941
4-[[2-(difluoromethoxy)phenyl]methyl]piperidine
CID 117355180
2-pyridin-2-yl-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 63630243
2-(2-methylphenyl)-N-(2-piperidin-4-ylethyl)acetamide
CID 54943798
4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628906
2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60894094

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide?
The IUPAC name of 2-[2-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide (CID 119535561) is 2-[2-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide.
What is the SMILES notation for 2-[2-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide?
The canonical SMILES for 2-[2-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide is O=C(Cc1ccccc1OC(F)F)NCCC1CCNC1.
What is the InChIKey of 2-[2-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide?
The InChIKey is SGKPFOJCFAECOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c16-15(17)21-13-4-2-1-3-12(13)9-14(20)19-8-6-11-5-7-18-10-11/h1-4,11,15,18H,5-10H2,(H,19,20).
What are the key properties of 2-[2-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide?
2-[2-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide has a molecular weight of 298.33 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide is sourced from PubChem (CID 119535561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).