1-[1-[(1S,2R)-2-(3,4-difluorophenyl)cyclopropanecarbonyl]azetidin-3-yl]imidazolidin-2-one

C16H17F2N3O2 — CID 124881564

IUPAC1-[1-[(1S,2R)-2-(3,4-difluorophenyl)cyclopropanecarbonyl]azetidin-3-yl]imidazolidin-2-one
SMILESO=C([C@H]1C[C@H]1c1ccc(F)c(F)c1)N1CC(N2CCNC2=O)C1
InChIInChI=1S/C16H17F2N3O2/c17-13-2-1-9(5-14(13)18)11-6-12(11)15(22)20-7-10(8-20)21-4-3-19-16(21)23/h1-2,5,10-12H,3-4,6-8H2,(H,19,23)/t11-,12-/m0/s1
InChIKeyLFQDFUNTLAXENN-RYUDHWBXSA-N
MW321.33 g/mol
LogP1.30
Rot. Bonds3

About 1-[1-[(1S,2R)-2-(3,4-difluorophenyl)cyclopropanecarbonyl]azetidin-3-yl]imidazolidin-2-one

1-[1-[(1S,2R)-2-(3,4-difluorophenyl)cyclopropanecarbonyl]azetidin-3-yl]imidazolidin-2-one (PubChem CID 124881564) has the molecular formula C16H17F2N3O2 and a molecular weight of 321.33 g/mol. Its IUPAC name is 1-[1-[(1S,2R)-2-(3,4-difluorophenyl)cyclopropanecarbonyl]azetidin-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[(1S,2R)-2-(3,4-difluorophenyl)cyclopropanecarbonyl]azetidin-3-yl]imidazolidin-2-one
PubChem CID124881564
Molecular FormulaC16H17F2N3O2
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name1-[1-[(1S,2R)-2-(3,4-difluorophenyl)cyclopropanecarbonyl]azetidin-3-yl]imidazolidin-2-one
SMILESO=C([C@H]1C[C@H]1c1ccc(F)c(F)c1)N1CC(N2CCNC2=O)C1
InChIInChI=1S/C16H17F2N3O2/c17-13-2-1-9(5-14(13)18)11-6-12(11)15(22)20-7-10(8-20)21-4-3-19-16(21)23/h1-2,5,10-12H,3-4,6-8H2,(H,19,23)/t11-,12-/m0/s1
InChIKeyLFQDFUNTLAXENN-RYUDHWBXSA-N
XLogP1.30
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-[(1S,2R)-2-(3,4-difluorophenyl)cyclopropanecarbonyl]azetidin-3-yl]imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methanone
CID 124699536
(4-aminopiperidin-1-yl)-[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methanone
CID 100644316
[(3R)-3-aminopyrrolidin-1-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone;hydrochloride
CID 119412379
[2-(3,4-difluorophenyl)cyclopropyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492182
[4-(1-aminoethyl)piperidin-1-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone
CID 119519871
cis-(1R,2S)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide
CID 124562405
[2-(1-aminoethyl)morpholin-4-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone;hydrochloride
CID 86813900
[2-(3,4-difluorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731899
1-[2-(3,4-difluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 119356871
[(1S,2R)-2-(3,4-difluorophenyl)cyclopropyl]-(oxazinan-2-yl)methanone
CID 99789765
1-[2-(3,4-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 91647027
1-cyclopropyl-4-[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperazin-2-one
CID 97077904

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1S,2R)-2-(3,4-difluorophenyl)cyclopropanecarbonyl]azetidin-3-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[(1S,2R)-2-(3,4-difluorophenyl)cyclopropanecarbonyl]azetidin-3-yl]imidazolidin-2-one (CID 124881564) is 1-[1-[(1S,2R)-2-(3,4-difluorophenyl)cyclopropanecarbonyl]azetidin-3-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[(1S,2R)-2-(3,4-difluorophenyl)cyclopropanecarbonyl]azetidin-3-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[(1S,2R)-2-(3,4-difluorophenyl)cyclopropanecarbonyl]azetidin-3-yl]imidazolidin-2-one is O=C([C@H]1C[C@H]1c1ccc(F)c(F)c1)N1CC(N2CCNC2=O)C1.
What is the InChIKey of 1-[1-[(1S,2R)-2-(3,4-difluorophenyl)cyclopropanecarbonyl]azetidin-3-yl]imidazolidin-2-one?
The InChIKey is LFQDFUNTLAXENN-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H17F2N3O2/c17-13-2-1-9(5-14(13)18)11-6-12(11)15(22)20-7-10(8-20)21-4-3-19-16(21)23/h1-2,5,10-12H,3-4,6-8H2,(H,19,23)/t11-,12-/m0/s1.
What are the key properties of 1-[1-[(1S,2R)-2-(3,4-difluorophenyl)cyclopropanecarbonyl]azetidin-3-yl]imidazolidin-2-one?
1-[1-[(1S,2R)-2-(3,4-difluorophenyl)cyclopropanecarbonyl]azetidin-3-yl]imidazolidin-2-one has a molecular weight of 321.33 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1S,2R)-2-(3,4-difluorophenyl)cyclopropanecarbonyl]azetidin-3-yl]imidazolidin-2-one is sourced from PubChem (CID 124881564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).