(2R)-N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide

C16H21F3N2O3 — CID 97306061

IUPAC(2R)-N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
SMILESCC(C)(O)[C@H]1CCCN1C(=O)NCc1c(F)cccc1OC(F)F
InChIInChI=1S/C16H21F3N2O3/c1-16(2,23)13-7-4-8-21(13)15(22)20-9-10-11(17)5-3-6-12(10)24-14(18)19/h3,5-6,13-14,23H,4,7-9H2,1-2H3,(H,20,22)/t13-/m1/s1
InChIKeyAYGWDRJGNZBNRG-CYBMUJFWSA-N
MW346.35 g/mol
LogP2.87
Rot. Bonds5

About (2R)-N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide

(2R)-N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide (PubChem CID 97306061) has the molecular formula C16H21F3N2O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is (2R)-N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
PubChem CID97306061
Molecular FormulaC16H21F3N2O3
Molecular Weight346.35 g/mol
Exact Mass346.15
IUPAC Name(2R)-N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
SMILESCC(C)(O)[C@H]1CCCN1C(=O)NCc1c(F)cccc1OC(F)F
InChIInChI=1S/C16H21F3N2O3/c1-16(2,23)13-7-4-8-21(13)15(22)20-9-10-11(17)5-3-6-12(10)24-14(18)19/h3,5-6,13-14,23H,4,7-9H2,1-2H3,(H,20,22)/t13-/m1/s1
InChIKeyAYGWDRJGNZBNRG-CYBMUJFWSA-N
XLogP2.87
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-N'-methylpyrrolidine-1-carboximidamide
CID 111498118
1-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111509604
(2-fluorophenyl) 2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate
CID 175350833
N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 71985912
(2R)-N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
CID 97306073
N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]oxane-3-carboxamide
CID 71985920
N-[[2-(difluoromethoxy)phenyl]methyl]-2-phenylpyrrolidine-1-carboxamide
CID 87003187
N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111540945
N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]furan-3-carboxamide
CID 71985921
1-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111714187
N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
CID 75397395
tert-butyl (2S)-2-[(2-chloro-6-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 97173162

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide (CID 97306061) is (2R)-N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide is CC(C)(O)[C@H]1CCCN1C(=O)NCc1c(F)cccc1OC(F)F.
What is the InChIKey of (2R)-N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is AYGWDRJGNZBNRG-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21F3N2O3/c1-16(2,23)13-7-4-8-21(13)15(22)20-9-10-11(17)5-3-6-12(10)24-14(18)19/h3,5-6,13-14,23H,4,7-9H2,1-2H3,(H,20,22)/t13-/m1/s1.
What are the key properties of (2R)-N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide?
(2R)-N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 346.35 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 97306061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).