2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]acetamide

C17H21F2NO3 — CID 99776562

IUPAC2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]acetamide
SMILESO=C(NC[C@@H]1CCO[C@H]1c1ccccc1)C(F)(F)C1(O)CCC1
InChIInChI=1S/C17H21F2NO3/c18-17(19,16(22)8-4-9-16)15(21)20-11-13-7-10-23-14(13)12-5-2-1-3-6-12/h1-3,5-6,13-14,22H,4,7-11H2,(H,20,21)/t13-,14-/m0/s1
InChIKeyDZIKLYPZHZUTKK-KBPBESRZSA-N
MW325.35 g/mol
LogP2.43
Rot. Bonds5

About 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]acetamide

2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]acetamide (PubChem CID 99776562) has the molecular formula C17H21F2NO3 and a molecular weight of 325.35 g/mol. Its IUPAC name is 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]acetamide
PubChem CID99776562
Molecular FormulaC17H21F2NO3
Molecular Weight325.35 g/mol
Exact Mass325.15
IUPAC Name2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]acetamide
SMILESO=C(NC[C@@H]1CCO[C@H]1c1ccccc1)C(F)(F)C1(O)CCC1
InChIInChI=1S/C17H21F2NO3/c18-17(19,16(22)8-4-9-16)15(21)20-11-13-7-10-23-14(13)12-5-2-1-3-6-12/h1-3,5-6,13-14,22H,4,7-11H2,(H,20,21)/t13-,14-/m0/s1
InChIKeyDZIKLYPZHZUTKK-KBPBESRZSA-N
XLogP2.43
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]acetamide with MolForge

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Related Compounds

4-ethenyl-2-(4-fluorophenyl)-N-propyl-2,5-dihydrofuran-3-carboxamide
CID 57328558
4-ethenyl-2-(4-fluorophenyl)-N-pentyl-2,5-dihydrofuran-3-carboxamide
CID 57328559
4-ethenyl-2-(4-fluorophenyl)-N-(2-methylpropyl)-2,5-dihydrofuran-3-carboxamide
CID 57328560
3-(3-fluorophenyl)-3-hydroxy-N-[(2-phenyloxolan-3-yl)methyl]propanamide
CID 86771203
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]acetamide
CID 97856645
(2S,3S)-2-amino-N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-3-methylpentanamide
CID 138000037
6-[(2-Aminoacetyl)amino]-2-(2,2,2-trifluoro-1-phenylethoxy)carbonylhexanoic acid;hydrochloride
CID 69921190
6-[(2-Methylpropan-2-yl)oxycarbonylamino]-2-(2,2,2-trifluoro-1-phenylethoxy)carbonylhexanoic acid
CID 70031580
N-[(1R)-5-amino-1-hydroxypentyl]-3-[(2-fluorophenyl)methoxy]tetradecanamide
CID 70230188
N-prop-2-ynyl-3-[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]propanamide
CID 142960226
N-[(2R)-2-hydroxypropyl]-3-[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]propanamide
CID 142960233
N-[(2S)-2-hydroxypropyl]-3-[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]propanamide
CID 142960239

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]acetamide?
The IUPAC name of 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]acetamide (CID 99776562) is 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]acetamide.
What is the SMILES notation for 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]acetamide?
The canonical SMILES for 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]acetamide is O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)C(F)(F)C1(O)CCC1.
What is the InChIKey of 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]acetamide?
The InChIKey is DZIKLYPZHZUTKK-KBPBESRZSA-N. The full InChI is InChI=1S/C17H21F2NO3/c18-17(19,16(22)8-4-9-16)15(21)20-11-13-7-10-23-14(13)12-5-2-1-3-6-12/h1-3,5-6,13-14,22H,4,7-11H2,(H,20,21)/t13-,14-/m0/s1.
What are the key properties of 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]acetamide?
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]acetamide has a molecular weight of 325.35 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]acetamide is sourced from PubChem (CID 99776562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).