[(2R)-1-benzoylpyrrolidin-2-yl]-[(2R)-2-(difluoromethyl)morpholin-4-yl]methanone

C17H20F2N2O3 — CID 124627095

IUPAC[(2R)-1-benzoylpyrrolidin-2-yl]-[(2R)-2-(difluoromethyl)morpholin-4-yl]methanone
SMILESO=C([C@H]1CCCN1C(=O)c1ccccc1)N1CCO[C@@H](C(F)F)C1
InChIInChI=1S/C17H20F2N2O3/c18-15(19)14-11-20(9-10-24-14)17(23)13-7-4-8-21(13)16(22)12-5-2-1-3-6-12/h1-3,5-6,13-15H,4,7-11H2/t13-,14-/m1/s1
InChIKeyXGVNUKMMZCPWHE-ZIAGYGMSSA-N
MW338.35 g/mol
LogP1.78
Rot. Bonds3

About [(2R)-1-benzoylpyrrolidin-2-yl]-[(2R)-2-(difluoromethyl)morpholin-4-yl]methanone

[(2R)-1-benzoylpyrrolidin-2-yl]-[(2R)-2-(difluoromethyl)morpholin-4-yl]methanone (PubChem CID 124627095) has the molecular formula C17H20F2N2O3 and a molecular weight of 338.35 g/mol. Its IUPAC name is [(2R)-1-benzoylpyrrolidin-2-yl]-[(2R)-2-(difluoromethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[(2R)-1-benzoylpyrrolidin-2-yl]-[(2R)-2-(difluoromethyl)morpholin-4-yl]methanone
PubChem CID124627095
Molecular FormulaC17H20F2N2O3
Molecular Weight338.35 g/mol
Exact Mass338.14
IUPAC Name[(2R)-1-benzoylpyrrolidin-2-yl]-[(2R)-2-(difluoromethyl)morpholin-4-yl]methanone
SMILESO=C([C@H]1CCCN1C(=O)c1ccccc1)N1CCO[C@@H](C(F)F)C1
InChIInChI=1S/C17H20F2N2O3/c18-15(19)14-11-20(9-10-24-14)17(23)13-7-4-8-21(13)16(22)12-5-2-1-3-6-12/h1-3,5-6,13-15H,4,7-11H2/t13-,14-/m1/s1
InChIKeyXGVNUKMMZCPWHE-ZIAGYGMSSA-N
XLogP1.78
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-benzoylpyrrolidin-2-yl]-[(2R)-2-(difluoromethyl)morpholin-4-yl]methanone
CID 124627096
(3-aminopiperidin-1-yl)-(1-benzoylpyrrolidin-2-yl)methanone
CID 119380930
[(2S)-1-(3-fluorobenzoyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110285997
(2S)-1-benzoylpyrrolidine-2-carboxylate
CID 6988238
(1-benzoylpyrrolidin-2-yl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone
CID 112821649
1-[1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid
CID 119167880
1-[1-(1,3-benzodioxole-5-carbonyl)pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid
CID 119167712
(E)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-phenylbut-2-en-1-one
CID 110305890
1-[2-[2-(difluoromethyl)morpholin-4-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 119038037
(1-benzoylpiperidin-2-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone
CID 135110610
2-methyl-N-[3-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]phenyl]propanamide
CID 131894338
[1-(4-bromobenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357643

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-benzoylpyrrolidin-2-yl]-[(2R)-2-(difluoromethyl)morpholin-4-yl]methanone?
The IUPAC name of [(2R)-1-benzoylpyrrolidin-2-yl]-[(2R)-2-(difluoromethyl)morpholin-4-yl]methanone (CID 124627095) is [(2R)-1-benzoylpyrrolidin-2-yl]-[(2R)-2-(difluoromethyl)morpholin-4-yl]methanone.
What is the SMILES notation for [(2R)-1-benzoylpyrrolidin-2-yl]-[(2R)-2-(difluoromethyl)morpholin-4-yl]methanone?
The canonical SMILES for [(2R)-1-benzoylpyrrolidin-2-yl]-[(2R)-2-(difluoromethyl)morpholin-4-yl]methanone is O=C([C@H]1CCCN1C(=O)c1ccccc1)N1CCO[C@@H](C(F)F)C1.
What is the InChIKey of [(2R)-1-benzoylpyrrolidin-2-yl]-[(2R)-2-(difluoromethyl)morpholin-4-yl]methanone?
The InChIKey is XGVNUKMMZCPWHE-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H20F2N2O3/c18-15(19)14-11-20(9-10-24-14)17(23)13-7-4-8-21(13)16(22)12-5-2-1-3-6-12/h1-3,5-6,13-15H,4,7-11H2/t13-,14-/m1/s1.
What are the key properties of [(2R)-1-benzoylpyrrolidin-2-yl]-[(2R)-2-(difluoromethyl)morpholin-4-yl]methanone?
[(2R)-1-benzoylpyrrolidin-2-yl]-[(2R)-2-(difluoromethyl)morpholin-4-yl]methanone has a molecular weight of 338.35 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-benzoylpyrrolidin-2-yl]-[(2R)-2-(difluoromethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 124627095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).