(3-chlorophenyl)-[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]methanone

C18H17ClFNO3 — CID 53034757

IUPAC(3-chlorophenyl)-[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]methanone
SMILESCOc1ccc(COC2CN(C(=O)c3cccc(Cl)c3)C2)cc1F
InChIInChI=1S/C18H17ClFNO3/c1-23-17-6-5-12(7-16(17)20)11-24-15-9-21(10-15)18(22)13-3-2-4-14(19)8-13/h2-8,15H,9-11H2,1H3
InChIKeyFFSBALTVTUMYFS-UHFFFAOYSA-N
MW349.79 g/mol
LogP3.53
Rot. Bonds5

About (3-chlorophenyl)-[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]methanone

(3-chlorophenyl)-[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]methanone (PubChem CID 53034757) has the molecular formula C18H17ClFNO3 and a molecular weight of 349.79 g/mol. Its IUPAC name is (3-chlorophenyl)-[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]methanone
PubChem CID53034757
Molecular FormulaC18H17ClFNO3
Molecular Weight349.79 g/mol
Exact Mass349.09
IUPAC Name(3-chlorophenyl)-[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]methanone
SMILESCOc1ccc(COC2CN(C(=O)c3cccc(Cl)c3)C2)cc1F
InChIInChI=1S/C18H17ClFNO3/c1-23-17-6-5-12(7-16(17)20)11-24-15-9-21(10-15)18(22)13-3-2-4-14(19)8-13/h2-8,15H,9-11H2,1H3
InChIKeyFFSBALTVTUMYFS-UHFFFAOYSA-N
XLogP3.53
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.79
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]-(2-methoxyphenyl)methanone
CID 53089696
1-[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 53089691
[3-[(4-chlorophenyl)methoxy]azetidin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 53008498
[3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 46028899
(3-chlorophenyl)-[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone
CID 46028796
(3-chlorophenyl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone
CID 4748242
[(3S)-3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3-methylphenyl)methanone
CID 93223584
(4-chlorophenyl)-[3-[(4-methylphenyl)methoxy]azetidin-1-yl]methanone
CID 53008478
(3-chlorophenyl)-[(3S)-3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone
CID 93223760
[4-(5-chloro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-(3-chlorophenyl)methanone
CID 108545174
[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 46028783
[(3S)-3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 93223576

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]methanone (CID 53034757) is (3-chlorophenyl)-[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]methanone is COc1ccc(COC2CN(C(=O)c3cccc(Cl)c3)C2)cc1F.
What is the InChIKey of (3-chlorophenyl)-[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]methanone?
The InChIKey is FFSBALTVTUMYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFNO3/c1-23-17-6-5-12(7-16(17)20)11-24-15-9-21(10-15)18(22)13-3-2-4-14(19)8-13/h2-8,15H,9-11H2,1H3.
What are the key properties of (3-chlorophenyl)-[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]methanone?
(3-chlorophenyl)-[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]methanone has a molecular weight of 349.79 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]methanone is sourced from PubChem (CID 53034757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).