[(2R)-2-(4-chlorophenyl)azetidin-1-yl]-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone

C20H20ClNO2 — CID 97217119

IUPAC[(2R)-2-(4-chlorophenyl)azetidin-1-yl]-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone
SMILESCOc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClNO2/c1-24-19-5-3-2-4-15(19)16-12-17(16)20(23)22-11-10-18(22)13-6-8-14(21)9-7-13/h2-9,16-18H,10-12H2,1H3/t16-,17+,18+/m0/s1
InChIKeyMLRXYOFCYPMGIW-RCCFBDPRSA-N
MW341.84 g/mol
LogP4.43
Rot. Bonds4

About [(2R)-2-(4-chlorophenyl)azetidin-1-yl]-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone

[(2R)-2-(4-chlorophenyl)azetidin-1-yl]-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone (PubChem CID 97217119) has the molecular formula C20H20ClNO2 and a molecular weight of 341.84 g/mol. Its IUPAC name is [(2R)-2-(4-chlorophenyl)azetidin-1-yl]-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[(2R)-2-(4-chlorophenyl)azetidin-1-yl]-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone
PubChem CID97217119
Molecular FormulaC20H20ClNO2
Molecular Weight341.84 g/mol
Exact Mass341.12
IUPAC Name[(2R)-2-(4-chlorophenyl)azetidin-1-yl]-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone
SMILESCOc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClNO2/c1-24-19-5-3-2-4-15(19)16-12-17(16)20(23)22-11-10-18(22)13-6-8-14(21)9-7-13/h2-9,16-18H,10-12H2,1H3/t16-,17+,18+/m0/s1
InChIKeyMLRXYOFCYPMGIW-RCCFBDPRSA-N
XLogP4.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(2R)-2-(4-chlorophenyl)azetidin-1-yl]-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone with MolForge

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Related Compounds

2-(4-chlorophenyl)-N-(5,6-dimethoxy-3-pyridinyl)azetidine-1-carboxamide
CID 136555141
[2-(2,5-difluorophenyl)cyclopropyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733139
(4-cyclopentylpiperazin-1-yl)-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]methanone
CID 95284754
[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 124888579
1-[2-(4-chlorophenyl)azetidin-1-yl]ethanone
CID 126758652
[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone
CID 124853798
[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone
CID 124853797
[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95346461
[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 129428643
2-[4-[(1R,2R)-2-(2-methoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 95273527
2-[4-[(1S,2R)-2-(2-methoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 95273528
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone
CID 95345802

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(4-chlorophenyl)azetidin-1-yl]-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone?
The IUPAC name of [(2R)-2-(4-chlorophenyl)azetidin-1-yl]-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone (CID 97217119) is [(2R)-2-(4-chlorophenyl)azetidin-1-yl]-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone.
What is the SMILES notation for [(2R)-2-(4-chlorophenyl)azetidin-1-yl]-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone?
The canonical SMILES for [(2R)-2-(4-chlorophenyl)azetidin-1-yl]-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone is COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of [(2R)-2-(4-chlorophenyl)azetidin-1-yl]-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone?
The InChIKey is MLRXYOFCYPMGIW-RCCFBDPRSA-N. The full InChI is InChI=1S/C20H20ClNO2/c1-24-19-5-3-2-4-15(19)16-12-17(16)20(23)22-11-10-18(22)13-6-8-14(21)9-7-13/h2-9,16-18H,10-12H2,1H3/t16-,17+,18+/m0/s1.
What are the key properties of [(2R)-2-(4-chlorophenyl)azetidin-1-yl]-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone?
[(2R)-2-(4-chlorophenyl)azetidin-1-yl]-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone has a molecular weight of 341.84 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(4-chlorophenyl)azetidin-1-yl]-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone is sourced from PubChem (CID 97217119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).