(3,4-difluorophenyl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone

C16H20F2N2O — CID 129428023

IUPAC(3,4-difluorophenyl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C16H20F2N2O/c1-19-8-2-4-14(19)15-5-3-9-20(15)16(21)11-6-7-12(17)13(18)10-11/h6-7,10,14-15H,2-5,8-9H2,1H3/t14-,15-/m1/s1
InChIKeyMGMSXILYKAOEJK-HUUCEWRRSA-N
MW294.34 g/mol
LogP2.66
Rot. Bonds2

About (3,4-difluorophenyl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone

(3,4-difluorophenyl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 129428023) has the molecular formula C16H20F2N2O and a molecular weight of 294.34 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
PubChem CID129428023
Molecular FormulaC16H20F2N2O
Molecular Weight294.34 g/mol
Exact Mass294.15
IUPAC Name(3,4-difluorophenyl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C16H20F2N2O/c1-19-8-2-4-14(19)15-5-3-9-20(15)16(21)11-6-7-12(17)13(18)10-11/h6-7,10,14-15H,2-5,8-9H2,1H3/t14-,15-/m1/s1
InChIKeyMGMSXILYKAOEJK-HUUCEWRRSA-N
XLogP2.66
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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N-{[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl}benzamide
CID 5494422
1-(2,6-Difluorobenzoyl)pyrrolidine
CID 588246
N,N-dicyclohexyl-2,6-difluorobenzamide
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N-Methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-2-(4-trifluoromethyl-phenyl)-acetamide
CID 9821780
N-Methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-2-(3-trifluoromethyl-phenyl)-acetamide
CID 10249808
N-Methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-2-(2-trifluoromethyl-phenyl)-acetamide
CID 10410240
(4-Propan-2-ylpiperazin-1-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 10452850
Cyclohexylalanine derived inhibitor, 21
CID 23647723
3-(3-fluoropropyl)-N-[[(2S)-1-prop-2-enylpyrrolidin-2-yl]methyl]benzamide
CID 90656834
2-fluoro-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]benzamide
CID 2449503

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone (CID 129428023) is (3,4-difluorophenyl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone is CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc(F)c(F)c1.
What is the InChIKey of (3,4-difluorophenyl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is MGMSXILYKAOEJK-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H20F2N2O/c1-19-8-2-4-14(19)15-5-3-9-20(15)16(21)11-6-7-12(17)13(18)10-11/h6-7,10,14-15H,2-5,8-9H2,1H3/t14-,15-/m1/s1.
What are the key properties of (3,4-difluorophenyl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
(3,4-difluorophenyl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 294.34 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 129428023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).