azetidin-1-yl-(3-chloro-5-ethoxy-4-propoxyphenyl)methanone

C15H20ClNO3 — CID 78805812

IUPACazetidin-1-yl-(3-chloro-5-ethoxy-4-propoxyphenyl)methanone
SMILESCCCOc1c(Cl)cc(C(=O)N2CCC2)cc1OCC
InChIInChI=1S/C15H20ClNO3/c1-3-8-20-14-12(16)9-11(10-13(14)19-4-2)15(18)17-6-5-7-17/h9-10H,3-8H2,1-2H3
InChIKeyVWUZYINZYLATJZ-UHFFFAOYSA-N
MW297.78 g/mol
LogP3.37
Rot. Bonds6

About azetidin-1-yl-(3-chloro-5-ethoxy-4-propoxyphenyl)methanone

azetidin-1-yl-(3-chloro-5-ethoxy-4-propoxyphenyl)methanone (PubChem CID 78805812) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is azetidin-1-yl-(3-chloro-5-ethoxy-4-propoxyphenyl)methanone.

Molecular Properties

Compound Nameazetidin-1-yl-(3-chloro-5-ethoxy-4-propoxyphenyl)methanone
PubChem CID78805812
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Nameazetidin-1-yl-(3-chloro-5-ethoxy-4-propoxyphenyl)methanone
SMILESCCCOc1c(Cl)cc(C(=O)N2CCC2)cc1OCC
InChIInChI=1S/C15H20ClNO3/c1-3-8-20-14-12(16)9-11(10-13(14)19-4-2)15(18)17-6-5-7-17/h9-10H,3-8H2,1-2H3
InChIKeyVWUZYINZYLATJZ-UHFFFAOYSA-N
XLogP3.37
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-butoxy-3-chloro-5-ethoxyphenyl)-piperidin-1-ylmethanone
CID 112759341
2-[4-(3-chloro-5-ethoxy-4-propoxybenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55440122
(3-chloro-5-ethoxy-4-propoxyphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 60559152
(3-chloro-5-ethoxy-4-propoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560795
[4-(3-chloro-5-ethoxy-4-propoxybenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 33141139
(3S)-1-(3-chloro-5-ethoxy-4-propoxybenzoyl)piperidine-3-carboxylic acid
CID 119113678
(3-chloro-5-ethoxy-4-propoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645244
(3-chloro-5-ethoxy-4-propoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 55342942
(4-butoxy-3-chloro-5-ethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119561521
(3S,4S)-1-(3-chloro-5-ethoxy-4-propoxybenzoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 120952644
[3-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-5-ethoxy-4-propoxyphenyl)methanone;hydrochloride
CID 119484252
(3-chloro-5-ethoxy-4-propoxyphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119636050

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(3-chloro-5-ethoxy-4-propoxyphenyl)methanone?
The IUPAC name of azetidin-1-yl-(3-chloro-5-ethoxy-4-propoxyphenyl)methanone (CID 78805812) is azetidin-1-yl-(3-chloro-5-ethoxy-4-propoxyphenyl)methanone.
What is the SMILES notation for azetidin-1-yl-(3-chloro-5-ethoxy-4-propoxyphenyl)methanone?
The canonical SMILES for azetidin-1-yl-(3-chloro-5-ethoxy-4-propoxyphenyl)methanone is CCCOc1c(Cl)cc(C(=O)N2CCC2)cc1OCC.
What is the InChIKey of azetidin-1-yl-(3-chloro-5-ethoxy-4-propoxyphenyl)methanone?
The InChIKey is VWUZYINZYLATJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-3-8-20-14-12(16)9-11(10-13(14)19-4-2)15(18)17-6-5-7-17/h9-10H,3-8H2,1-2H3.
What are the key properties of azetidin-1-yl-(3-chloro-5-ethoxy-4-propoxyphenyl)methanone?
azetidin-1-yl-(3-chloro-5-ethoxy-4-propoxyphenyl)methanone has a molecular weight of 297.78 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(3-chloro-5-ethoxy-4-propoxyphenyl)methanone is sourced from PubChem (CID 78805812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).