(4R)-1-cyclopropyl-4-[[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]pyrrolidin-2-one

C16H20F2N2O2 — CID 97102179

IUPAC(4R)-1-cyclopropyl-4-[[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]pyrrolidin-2-one
SMILESC[C@@H](N[C@@H]1CC(=O)N(C2CC2)C1)c1cccc(OC(F)F)c1
InChIInChI=1S/C16H20F2N2O2/c1-10(11-3-2-4-14(7-11)22-16(17)18)19-12-8-15(21)20(9-12)13-5-6-13/h2-4,7,10,12-13,16,19H,5-6,8-9H2,1H3/t10-,12-/m1/s1
InChIKeyLWCHNLNOIZXILS-ZYHUDNBSSA-N
MW310.34 g/mol
LogP2.70
Rot. Bonds6

About (4R)-1-cyclopropyl-4-[[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]pyrrolidin-2-one

(4R)-1-cyclopropyl-4-[[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]pyrrolidin-2-one (PubChem CID 97102179) has the molecular formula C16H20F2N2O2 and a molecular weight of 310.34 g/mol. Its IUPAC name is (4R)-1-cyclopropyl-4-[[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-cyclopropyl-4-[[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]pyrrolidin-2-one
PubChem CID97102179
Molecular FormulaC16H20F2N2O2
Molecular Weight310.34 g/mol
Exact Mass310.15
IUPAC Name(4R)-1-cyclopropyl-4-[[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]pyrrolidin-2-one
SMILESC[C@@H](N[C@@H]1CC(=O)N(C2CC2)C1)c1cccc(OC(F)F)c1
InChIInChI=1S/C16H20F2N2O2/c1-10(11-3-2-4-14(7-11)22-16(17)18)19-12-8-15(21)20(9-12)13-5-6-13/h2-4,7,10,12-13,16,19H,5-6,8-9H2,1H3/t10-,12-/m1/s1
InChIKeyLWCHNLNOIZXILS-ZYHUDNBSSA-N
XLogP2.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-1-cyclopropyl-4-[[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]pyrrolidin-2-one with MolForge

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Related Compounds

N-[1-[3-(difluoromethoxy)phenyl]ethyl]cyclopentanamine
CID 43200712
1-N-[1-[3-(difluoromethoxy)phenyl]ethyl]cyclohexane-1,3-diamine
CID 79458545
(1S)-1-[3-(difluoromethoxy)phenyl]-N-[(1,1-dioxothian-4-yl)methyl]ethanamine
CID 97108387
(4S)-1-cyclopropyl-4-[[(1R)-1-(4-nitrophenyl)ethyl]amino]pyrrolidin-2-one
CID 97102213
(3R)-1-cyclopropyl-N-[[3-(difluoromethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 94348927
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 103786631
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,2-difluoroethanamine
CID 113303620
N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-(3-methoxyphenyl)acetamide
CID 95968751
[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]cyclopentyl]methanol
CID 103786076
1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[1-(3,4-difluorophenyl)ethyl]urea
CID 71924034
N-[3-(difluoromethoxy)phenyl]-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 90567994
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,4,4-trimethylcyclopentan-1-amine
CID 106661841

Frequently Asked Questions

What is the IUPAC name of (4R)-1-cyclopropyl-4-[[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]pyrrolidin-2-one?
The IUPAC name of (4R)-1-cyclopropyl-4-[[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]pyrrolidin-2-one (CID 97102179) is (4R)-1-cyclopropyl-4-[[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-cyclopropyl-4-[[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-cyclopropyl-4-[[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]pyrrolidin-2-one is C[C@@H](N[C@@H]1CC(=O)N(C2CC2)C1)c1cccc(OC(F)F)c1.
What is the InChIKey of (4R)-1-cyclopropyl-4-[[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]pyrrolidin-2-one?
The InChIKey is LWCHNLNOIZXILS-ZYHUDNBSSA-N. The full InChI is InChI=1S/C16H20F2N2O2/c1-10(11-3-2-4-14(7-11)22-16(17)18)19-12-8-15(21)20(9-12)13-5-6-13/h2-4,7,10,12-13,16,19H,5-6,8-9H2,1H3/t10-,12-/m1/s1.
What are the key properties of (4R)-1-cyclopropyl-4-[[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]pyrrolidin-2-one?
(4R)-1-cyclopropyl-4-[[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]pyrrolidin-2-one has a molecular weight of 310.34 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-cyclopropyl-4-[[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]pyrrolidin-2-one is sourced from PubChem (CID 97102179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).