[2-(4-fluorophenyl)azetidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone

C23H20FNO2 — CID 91793401

IUPAC[2-(4-fluorophenyl)azetidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
SMILESCOc1ccccc1-c1cccc(C(=O)N2CCC2c2ccc(F)cc2)c1
InChIInChI=1S/C23H20FNO2/c1-27-22-8-3-2-7-20(22)17-5-4-6-18(15-17)23(26)25-14-13-21(25)16-9-11-19(24)12-10-16/h2-12,15,21H,13-14H2,1H3
InChIKeyFPCKNXOMXNSWPY-UHFFFAOYSA-N
MW361.42 g/mol
LogP5.09
Rot. Bonds4

About [2-(4-fluorophenyl)azetidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone

[2-(4-fluorophenyl)azetidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone (PubChem CID 91793401) has the molecular formula C23H20FNO2 and a molecular weight of 361.42 g/mol. Its IUPAC name is [2-(4-fluorophenyl)azetidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)azetidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
PubChem CID91793401
Molecular FormulaC23H20FNO2
Molecular Weight361.42 g/mol
Exact Mass361.15
IUPAC Name[2-(4-fluorophenyl)azetidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
SMILESCOc1ccccc1-c1cccc(C(=O)N2CCC2c2ccc(F)cc2)c1
InChIInChI=1S/C23H20FNO2/c1-27-22-8-3-2-7-20(22)17-5-4-6-18(15-17)23(26)25-14-13-21(25)16-9-11-19(24)12-10-16/h2-12,15,21H,13-14H2,1H3
InChIKeyFPCKNXOMXNSWPY-UHFFFAOYSA-N
XLogP5.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.42
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-fluorobenzoyl)piperazin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
CID 134800061
[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 32840665
3-(2-methoxyphenyl)benzoic acid
CID 2759547
(3-fluorophenyl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747006
[2-(4-fluorophenyl)piperidin-1-yl]-(4-hydroxy-3-methoxyphenyl)methanone
CID 70772344
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 50747061
[2-(4-fluorophenyl)azetidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 72928211
[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
CID 131945890
[3-(2-methoxyphenyl)phenyl]-(3-propylmorpholin-4-yl)methanone
CID 91777127
(2S,5R)-5-(4-fluorophenyl)-1-[4-(2-methoxyphenyl)benzoyl]pyrrolidine-2-carbaldehyde
CID 146676326
1-[3-(2-methoxyphenyl)phenyl]-2-methylpropan-1-one
CID 82120149
[2-(4-fluorophenyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 70732659

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)azetidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone?
The IUPAC name of [2-(4-fluorophenyl)azetidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone (CID 91793401) is [2-(4-fluorophenyl)azetidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone.
What is the SMILES notation for [2-(4-fluorophenyl)azetidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone?
The canonical SMILES for [2-(4-fluorophenyl)azetidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone is COc1ccccc1-c1cccc(C(=O)N2CCC2c2ccc(F)cc2)c1.
What is the InChIKey of [2-(4-fluorophenyl)azetidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone?
The InChIKey is FPCKNXOMXNSWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO2/c1-27-22-8-3-2-7-20(22)17-5-4-6-18(15-17)23(26)25-14-13-21(25)16-9-11-19(24)12-10-16/h2-12,15,21H,13-14H2,1H3.
What are the key properties of [2-(4-fluorophenyl)azetidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone?
[2-(4-fluorophenyl)azetidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone has a molecular weight of 361.42 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)azetidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone is sourced from PubChem (CID 91793401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).