(5-chloro-2-methoxyphenyl)-[3-(2-methoxyphenoxy)azetidin-1-yl]methanone

C18H18ClNO4 — CID 70713898

IUPAC(5-chloro-2-methoxyphenyl)-[3-(2-methoxyphenoxy)azetidin-1-yl]methanone
SMILESCOc1ccccc1OC1CN(C(=O)c2cc(Cl)ccc2OC)C1
InChIInChI=1S/C18H18ClNO4/c1-22-15-8-7-12(19)9-14(15)18(21)20-10-13(11-20)24-17-6-4-3-5-16(17)23-2/h3-9,13H,10-11H2,1-2H3
InChIKeyJHPDXFFIOKCSCN-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.26
Rot. Bonds5

About (5-chloro-2-methoxyphenyl)-[3-(2-methoxyphenoxy)azetidin-1-yl]methanone

(5-chloro-2-methoxyphenyl)-[3-(2-methoxyphenoxy)azetidin-1-yl]methanone (PubChem CID 70713898) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-[3-(2-methoxyphenoxy)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-[3-(2-methoxyphenoxy)azetidin-1-yl]methanone
PubChem CID70713898
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Name(5-chloro-2-methoxyphenyl)-[3-(2-methoxyphenoxy)azetidin-1-yl]methanone
SMILESCOc1ccccc1OC1CN(C(=O)c2cc(Cl)ccc2OC)C1
InChIInChI=1S/C18H18ClNO4/c1-22-15-8-7-12(19)9-14(15)18(21)20-10-13(11-20)24-17-6-4-3-5-16(17)23-2/h3-9,13H,10-11H2,1-2H3
InChIKeyJHPDXFFIOKCSCN-UHFFFAOYSA-N
XLogP3.26
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminoazetidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone
CID 65244224
(5-chloro-2-methoxyphenyl)-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methanone
CID 91783571
(5-chloro-2-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 2904490
4-[1-(5-chloro-2-methoxybenzoyl)azetidin-3-yl]oxypyridine-2-carboxamide
CID 154831310
[3-(2-ethylphenoxy)azetidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone
CID 70717345
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(5-chloro-2-methoxyphenyl)methanone;hydrochloride
CID 120658746
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 2473565
[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 33000048
1-(5-chloro-2-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 55151545
methyl 4-(5-chloro-2-methoxybenzoyl)piperazine-1-carboxylate
CID 110803250
(4-chloro-2-methoxyphenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671460
[4-(5-chloro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-(2-methylphenyl)methanone
CID 108546198

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-[3-(2-methoxyphenoxy)azetidin-1-yl]methanone?
The IUPAC name of (5-chloro-2-methoxyphenyl)-[3-(2-methoxyphenoxy)azetidin-1-yl]methanone (CID 70713898) is (5-chloro-2-methoxyphenyl)-[3-(2-methoxyphenoxy)azetidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-[3-(2-methoxyphenoxy)azetidin-1-yl]methanone?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-[3-(2-methoxyphenoxy)azetidin-1-yl]methanone is COc1ccccc1OC1CN(C(=O)c2cc(Cl)ccc2OC)C1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-[3-(2-methoxyphenoxy)azetidin-1-yl]methanone?
The InChIKey is JHPDXFFIOKCSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-22-15-8-7-12(19)9-14(15)18(21)20-10-13(11-20)24-17-6-4-3-5-16(17)23-2/h3-9,13H,10-11H2,1-2H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-[3-(2-methoxyphenoxy)azetidin-1-yl]methanone?
(5-chloro-2-methoxyphenyl)-[3-(2-methoxyphenoxy)azetidin-1-yl]methanone has a molecular weight of 347.80 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-[3-(2-methoxyphenoxy)azetidin-1-yl]methanone is sourced from PubChem (CID 70713898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).