azetidin-1-yl-[3-chloro-4-(3-phenylmethoxyphenoxy)phenyl]methanone

C23H20ClNO3 — CID 141168468

IUPACazetidin-1-yl-[3-chloro-4-(3-phenylmethoxyphenoxy)phenyl]methanone
SMILESO=C(c1ccc(Oc2cccc(OCc3ccccc3)c2)c(Cl)c1)N1CCC1
InChIInChI=1S/C23H20ClNO3/c24-21-14-18(23(26)25-12-5-13-25)10-11-22(21)28-20-9-4-8-19(15-20)27-16-17-6-2-1-3-7-17/h1-4,6-11,14-15H,5,12-13,16H2
InChIKeyCYHFVAABPXSSQD-UHFFFAOYSA-N
MW393.87 g/mol
LogP5.56
Rot. Bonds6

About azetidin-1-yl-[3-chloro-4-(3-phenylmethoxyphenoxy)phenyl]methanone

azetidin-1-yl-[3-chloro-4-(3-phenylmethoxyphenoxy)phenyl]methanone (PubChem CID 141168468) has the molecular formula C23H20ClNO3 and a molecular weight of 393.87 g/mol. Its IUPAC name is azetidin-1-yl-[3-chloro-4-(3-phenylmethoxyphenoxy)phenyl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[3-chloro-4-(3-phenylmethoxyphenoxy)phenyl]methanone
PubChem CID141168468
Molecular FormulaC23H20ClNO3
Molecular Weight393.87 g/mol
Exact Mass393.11
IUPAC Nameazetidin-1-yl-[3-chloro-4-(3-phenylmethoxyphenoxy)phenyl]methanone
SMILESO=C(c1ccc(Oc2cccc(OCc3ccccc3)c2)c(Cl)c1)N1CCC1
InChIInChI=1S/C23H20ClNO3/c24-21-14-18(23(26)25-12-5-13-25)10-11-22(21)28-20-9-4-8-19(15-20)27-16-17-6-2-1-3-7-17/h1-4,6-11,14-15H,5,12-13,16H2
InChIKeyCYHFVAABPXSSQD-UHFFFAOYSA-N
XLogP5.56
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.87
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze azetidin-1-yl-[3-chloro-4-(3-phenylmethoxyphenoxy)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azepan-1-yl-(3-bromo-4-phenylmethoxyphenyl)methanone
CID 54793468
azepan-1-yl-[4-(phenoxymethyl)phenyl]methanone
CID 55334830
azepan-1-yl-(4-phenylmethoxyphenyl)methanone
CID 4958376
(4-cyclobutyl-1,4-diazepan-1-yl)-(3-phenylmethoxyphenyl)methanone
CID 11175983
azepan-1-yl-[3-[(2-chlorophenyl)methoxy]phenyl]methanone
CID 100749219
(3-iodo-4-phenylmethoxyphenyl)-piperidin-1-ylmethanone
CID 172647558
[4-(2-hydroxyethyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 71944477
3-chloro-4-phenylmethoxybenzoic acid;hydrochloride
CID 67898851
[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 44570985
(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)-piperidin-1-ylmethanone
CID 2302016
1-[4-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]phenyl]ethanone
CID 8004468
(3-chloro-4-ethoxyphenyl)-piperidin-1-ylmethanone
CID 95970604

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[3-chloro-4-(3-phenylmethoxyphenoxy)phenyl]methanone?
The IUPAC name of azetidin-1-yl-[3-chloro-4-(3-phenylmethoxyphenoxy)phenyl]methanone (CID 141168468) is azetidin-1-yl-[3-chloro-4-(3-phenylmethoxyphenoxy)phenyl]methanone.
What is the SMILES notation for azetidin-1-yl-[3-chloro-4-(3-phenylmethoxyphenoxy)phenyl]methanone?
The canonical SMILES for azetidin-1-yl-[3-chloro-4-(3-phenylmethoxyphenoxy)phenyl]methanone is O=C(c1ccc(Oc2cccc(OCc3ccccc3)c2)c(Cl)c1)N1CCC1.
What is the InChIKey of azetidin-1-yl-[3-chloro-4-(3-phenylmethoxyphenoxy)phenyl]methanone?
The InChIKey is CYHFVAABPXSSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO3/c24-21-14-18(23(26)25-12-5-13-25)10-11-22(21)28-20-9-4-8-19(15-20)27-16-17-6-2-1-3-7-17/h1-4,6-11,14-15H,5,12-13,16H2.
What are the key properties of azetidin-1-yl-[3-chloro-4-(3-phenylmethoxyphenoxy)phenyl]methanone?
azetidin-1-yl-[3-chloro-4-(3-phenylmethoxyphenoxy)phenyl]methanone has a molecular weight of 393.87 g/mol, XLogP of 5.56, 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-4-(3-phenylmethoxyphenoxy)phenyl]methanone is sourced from PubChem (CID 141168468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).