(3R)-N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]oxolane-3-carboxamide

C16H20F2N2O2 — CID 129432752

IUPAC(3R)-N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]oxolane-3-carboxamide
SMILESCN1CC[C@H](NC(=O)[C@@H]2CCOC2)[C@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C16H20F2N2O2/c1-20-6-4-14(19-16(21)11-5-7-22-9-11)15(20)10-2-3-12(17)13(18)8-10/h2-3,8,11,14-15H,4-7,9H2,1H3,(H,19,21)/t11-,14+,15-/m1/s1
InChIKeyCLXTZQJTORJWFK-BYCMXARLSA-N
MW310.34 g/mol
LogP1.86
Rot. Bonds3

About (3R)-N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]oxolane-3-carboxamide

(3R)-N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]oxolane-3-carboxamide (PubChem CID 129432752) has the molecular formula C16H20F2N2O2 and a molecular weight of 310.34 g/mol. Its IUPAC name is (3R)-N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]oxolane-3-carboxamide
PubChem CID129432752
Molecular FormulaC16H20F2N2O2
Molecular Weight310.34 g/mol
Exact Mass310.15
IUPAC Name(3R)-N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]oxolane-3-carboxamide
SMILESCN1CC[C@H](NC(=O)[C@@H]2CCOC2)[C@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C16H20F2N2O2/c1-20-6-4-14(19-16(21)11-5-7-22-9-11)15(20)10-2-3-12(17)13(18)8-10/h2-3,8,11,14-15H,4-7,9H2,1H3,(H,19,21)/t11-,14+,15-/m1/s1
InChIKeyCLXTZQJTORJWFK-BYCMXARLSA-N
XLogP1.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(2S,3R)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-2-propan-2-ylsulfonylpropanamide
CID 124840939
N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]thiophene-2-carboxamide
CID 75394866
N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-2-thiophen-2-ylacetamide
CID 129378843
N-[(2S,3R)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-1-methyl-6-oxopyridine-3-carboxamide
CID 99850796
N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-2-(1,2-oxazol-3-yl)acetamide
CID 129378868
1-[[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123325
N-[(2S,3R)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-3-oxopiperazine-1-carboxamide
CID 97250474
1-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 132972224
2-cyclopropyl-N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-6-oxo-1H-pyridine-4-carboxamide
CID 127904280
(2S,4S)-N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-2-methylpiperidine-4-carboxamide
CID 120640597
cis-(1S,3R)-3-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066314
1-[(2S,3R)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-3-(2-imidazol-1-ylethyl)urea
CID 124595599

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]oxolane-3-carboxamide?
The IUPAC name of (3R)-N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]oxolane-3-carboxamide (CID 129432752) is (3R)-N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]oxolane-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]oxolane-3-carboxamide?
The canonical SMILES for (3R)-N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]oxolane-3-carboxamide is CN1CC[C@H](NC(=O)[C@@H]2CCOC2)[C@H]1c1ccc(F)c(F)c1.
What is the InChIKey of (3R)-N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]oxolane-3-carboxamide?
The InChIKey is CLXTZQJTORJWFK-BYCMXARLSA-N. The full InChI is InChI=1S/C16H20F2N2O2/c1-20-6-4-14(19-16(21)11-5-7-22-9-11)15(20)10-2-3-12(17)13(18)8-10/h2-3,8,11,14-15H,4-7,9H2,1H3,(H,19,21)/t11-,14+,15-/m1/s1.
What are the key properties of (3R)-N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]oxolane-3-carboxamide?
(3R)-N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]oxolane-3-carboxamide has a molecular weight of 310.34 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]oxolane-3-carboxamide is sourced from PubChem (CID 129432752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).