[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-(4-methylphenyl)methanone

C18H18FNO2 — CID 53034640

IUPAC[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CC(OCc3ccc(F)cc3)C2)cc1
InChIInChI=1S/C18H18FNO2/c1-13-2-6-15(7-3-13)18(21)20-10-17(11-20)22-12-14-4-8-16(19)9-5-14/h2-9,17H,10-12H2,1H3
InChIKeyNXNIUBDPRJCRDD-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.18
Rot. Bonds4

About [3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-(4-methylphenyl)methanone

[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-(4-methylphenyl)methanone (PubChem CID 53034640) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is [3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-(4-methylphenyl)methanone
PubChem CID53034640
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CC(OCc3ccc(F)cc3)C2)cc1
InChIInChI=1S/C18H18FNO2/c1-13-2-6-15(7-3-13)18(21)20-10-17(11-20)22-12-14-4-8-16(19)9-5-14/h2-9,17H,10-12H2,1H3
InChIKeyNXNIUBDPRJCRDD-UHFFFAOYSA-N
XLogP3.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chlorophenyl)-[3-[(4-methylphenyl)methoxy]azetidin-1-yl]methanone
CID 53008478
(2-ethoxyphenyl)-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone
CID 53034644
[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]-(4-methylphenyl)methanone
CID 42844148
[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
CID 70729636
[4-(diethylamino)phenyl]-(3-phenylmethoxyazetidin-1-yl)methanone
CID 118786113
1-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-2-phenylsulfanylethanone
CID 53034648
1-[3-[(4-methylphenyl)methoxy]azetidin-1-yl]-2-phenylsulfanylethanone
CID 53034628
[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]-(2-methoxyphenyl)methanone
CID 53089696
[3-[(4-chlorophenyl)methoxy]azetidin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 53008498
(3S,4R)-N-[(4-fluorophenyl)methyl]-1-(4-methylbenzoyl)-4-phenylpyrrolidine-3-carboxamide
CID 93148505
ethane;(4-fluorophenyl)-[2-[(4-methylphenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 144757830
(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-methylphenyl)methanone
CID 121451670

Frequently Asked Questions

What is the IUPAC name of [3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-(4-methylphenyl)methanone (CID 53034640) is [3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CC(OCc3ccc(F)cc3)C2)cc1.
What is the InChIKey of [3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is NXNIUBDPRJCRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-13-2-6-15(7-3-13)18(21)20-10-17(11-20)22-12-14-4-8-16(19)9-5-14/h2-9,17H,10-12H2,1H3.
What are the key properties of [3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-(4-methylphenyl)methanone?
[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 299.35 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 53034640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).