3-chloro-4-(4-methoxyphenyl)-1-naphthalen-2-ylazetidin-2-one

C20H16ClNO2 — CID 11559132

IUPAC3-chloro-4-(4-methoxyphenyl)-1-naphthalen-2-ylazetidin-2-one
SMILESCOc1ccc(C2C(Cl)C(=O)N2c2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H16ClNO2/c1-24-17-10-7-14(8-11-17)19-18(21)20(23)22(19)16-9-6-13-4-2-3-5-15(13)12-16/h2-12,18-19H,1H3
InChIKeyRIZNJKDOVRMOLJ-UHFFFAOYSA-N
MW337.81 g/mol
LogP4.54
Rot. Bonds3

About 3-chloro-4-(4-methoxyphenyl)-1-naphthalen-2-ylazetidin-2-one

3-chloro-4-(4-methoxyphenyl)-1-naphthalen-2-ylazetidin-2-one (PubChem CID 11559132) has the molecular formula C20H16ClNO2 and a molecular weight of 337.81 g/mol. Its IUPAC name is 3-chloro-4-(4-methoxyphenyl)-1-naphthalen-2-ylazetidin-2-one.

Molecular Properties

Compound Name3-chloro-4-(4-methoxyphenyl)-1-naphthalen-2-ylazetidin-2-one
PubChem CID11559132
Molecular FormulaC20H16ClNO2
Molecular Weight337.81 g/mol
Exact Mass337.09
IUPAC Name3-chloro-4-(4-methoxyphenyl)-1-naphthalen-2-ylazetidin-2-one
SMILESCOc1ccc(C2C(Cl)C(=O)N2c2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H16ClNO2/c1-24-17-10-7-14(8-11-17)19-18(21)20(23)22(19)16-9-6-13-4-2-3-5-15(13)12-16/h2-12,18-19H,1H3
InChIKeyRIZNJKDOVRMOLJ-UHFFFAOYSA-N
XLogP4.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-(4-methoxyphenyl)-1-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]azetidin-2-one
CID 11283654
(3R,4S)-3-[(S)-hydroxy(naphthalen-2-yl)methyl]-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 11258353
(3R,4S)-1,4-bis(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 101388237
(4S)-4-(4-methoxyphenyl)-3-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 54585323
(3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 11392395
(3S,4S)-1-(3,5-dimethoxyphenyl)-3-hydroxy-4-(4-methoxyphenyl)azetidin-2-one
CID 56963906
(4R)-1-(3,5-dimethoxyphenyl)-3-hydroxy-4-(4-methoxyphenyl)azetidin-2-one
CID 144520050
3-amino-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 12545415
(3S,4R)-1,4-bis(4-methoxyphenyl)-3-methylsulfinylazetidin-2-one
CID 53493590
(3R,4R)-1,4-bis(4-methoxyphenyl)-3-phenylsulfanylazetidin-2-one
CID 101226583
(4R,5R)-1,3,4,5-tetrakis(4-methoxyphenyl)imidazolidin-2-one
CID 11124062
(3R,4S)-3-benzyl-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 54114179

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(4-methoxyphenyl)-1-naphthalen-2-ylazetidin-2-one?
The IUPAC name of 3-chloro-4-(4-methoxyphenyl)-1-naphthalen-2-ylazetidin-2-one (CID 11559132) is 3-chloro-4-(4-methoxyphenyl)-1-naphthalen-2-ylazetidin-2-one.
What is the SMILES notation for 3-chloro-4-(4-methoxyphenyl)-1-naphthalen-2-ylazetidin-2-one?
The canonical SMILES for 3-chloro-4-(4-methoxyphenyl)-1-naphthalen-2-ylazetidin-2-one is COc1ccc(C2C(Cl)C(=O)N2c2ccc3ccccc3c2)cc1.
What is the InChIKey of 3-chloro-4-(4-methoxyphenyl)-1-naphthalen-2-ylazetidin-2-one?
The InChIKey is RIZNJKDOVRMOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO2/c1-24-17-10-7-14(8-11-17)19-18(21)20(23)22(19)16-9-6-13-4-2-3-5-15(13)12-16/h2-12,18-19H,1H3.
What are the key properties of 3-chloro-4-(4-methoxyphenyl)-1-naphthalen-2-ylazetidin-2-one?
3-chloro-4-(4-methoxyphenyl)-1-naphthalen-2-ylazetidin-2-one has a molecular weight of 337.81 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(4-methoxyphenyl)-1-naphthalen-2-ylazetidin-2-one is sourced from PubChem (CID 11559132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).