N-[[4-(difluoromethoxy)phenyl]methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide

C15H20F2N2O3 — CID 110921510

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCC[C@@H]1CO)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H20F2N2O3/c16-15(17)22-13-5-3-11(4-6-13)8-18-14(21)9-19-7-1-2-12(19)10-20/h3-6,12,15,20H,1-2,7-10H2,(H,18,21)/t12-/m1/s1
InChIKeySNGXCDFGAYLHGR-GFCCVEGCSA-N
MW314.33 g/mol
LogP1.36
Rot. Bonds7

About N-[[4-(difluoromethoxy)phenyl]methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide

N-[[4-(difluoromethoxy)phenyl]methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide (PubChem CID 110921510) has the molecular formula C15H20F2N2O3 and a molecular weight of 314.33 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
PubChem CID110921510
Molecular FormulaC15H20F2N2O3
Molecular Weight314.33 g/mol
Exact Mass314.14
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCC[C@@H]1CO)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H20F2N2O3/c16-15(17)22-13-5-3-11(4-6-13)8-18-14(21)9-19-7-1-2-12(19)10-20/h3-6,12,15,20H,1-2,7-10H2,(H,18,21)/t12-/m1/s1
InChIKeySNGXCDFGAYLHGR-GFCCVEGCSA-N
XLogP1.36
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-2-cyclohexylpyrrolidin-1-yl]-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 95576076
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[(4-propoxyphenyl)methyl]acetamide
CID 110921436
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
CID 110921460
[1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 75467118
1-[4-(difluoromethoxy)phenyl]-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 6363229
N-[[4-(difluoromethoxy)phenyl]methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918578
2-cyclopentyl-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 134029016
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 81493296
N-[2-(4-fluorophenyl)ethyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62047041
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[(3-propoxyphenyl)methyl]acetamide
CID 72687729
(3aS,6aR)-2-[2-[[4-(difluoromethoxy)phenyl]methylamino]-2-oxoethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid;hydrochloride
CID 120680843
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119271340

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide (CID 110921510) is N-[[4-(difluoromethoxy)phenyl]methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide is O=C(CN1CCC[C@@H]1CO)NCc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is SNGXCDFGAYLHGR-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20F2N2O3/c16-15(17)22-13-5-3-11(4-6-13)8-18-14(21)9-19-7-1-2-12(19)10-20/h3-6,12,15,20H,1-2,7-10H2,(H,18,21)/t12-/m1/s1.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 314.33 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 110921510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).