3-(2-chloroethyl)-4-(4-methoxyphenyl)-1-phenylazetidin-2-one

C18H18ClNO2 — CID 10852860

IUPAC3-(2-chloroethyl)-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
SMILESCOc1ccc(C2C(CCCl)C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C18H18ClNO2/c1-22-15-9-7-13(8-10-15)17-16(11-12-19)18(21)20(17)14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3
InChIKeyDDYLUFAJGVLARD-UHFFFAOYSA-N
MW315.80 g/mol
LogP4.03
Rot. Bonds5

About 3-(2-chloroethyl)-4-(4-methoxyphenyl)-1-phenylazetidin-2-one

3-(2-chloroethyl)-4-(4-methoxyphenyl)-1-phenylazetidin-2-one (PubChem CID 10852860) has the molecular formula C18H18ClNO2 and a molecular weight of 315.80 g/mol. Its IUPAC name is 3-(2-chloroethyl)-4-(4-methoxyphenyl)-1-phenylazetidin-2-one.

Molecular Properties

Compound Name3-(2-chloroethyl)-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
PubChem CID10852860
Molecular FormulaC18H18ClNO2
Molecular Weight315.80 g/mol
Exact Mass315.10
IUPAC Name3-(2-chloroethyl)-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
SMILESCOc1ccc(C2C(CCCl)C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C18H18ClNO2/c1-22-15-9-7-13(8-10-15)17-16(11-12-19)18(21)20(17)14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3
InChIKeyDDYLUFAJGVLARD-UHFFFAOYSA-N
XLogP4.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 54.03
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

(3R,4S)-3-benzyl-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 54114179
(3R,4S)-3-[2-(benzenesulfonyl)ethyl]-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 10812133
(3R,4R)-1,4-bis(4-methoxyphenyl)-3-(4-phenylbutyl)azetidin-2-one
CID 102000373
(3S,4S)-3-[(3R)-3-hydroxy-3-phenylpropyl]-1,4-bis(4-methoxyphenyl)azetidin-2-one;(3S,4R)-3-[(3S)-3-hydroxy-3-phenylpropyl]-1,4-bis(4-methoxyphenyl)azetidin-2-one;(4S)-3-[(3S)-3-hydroxy-3-phenylpropyl]-1,4-bis(4-methoxyphenyl)azetidin-2-one;(4S)-3-[(3R)-3-hydroxy-3-phenylpropyl]-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 159825691
3-amino-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 12545415
(3R,4S)-1-(4-methoxyphenyl)-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(3-phenylpropyl)azetidin-2-one
CID 10646916
1-(4-aminophenyl)-3-[(3S)-3-hydroxy-3-phenylpropyl]-4-(4-methoxyphenyl)azetidin-2-one
CID 59812754
(3R,4S)-1-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-3-(3-phenylpropyl)azetidin-2-one
CID 10671216
(3R,4S)-1,4-bis(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 101388237
(3R,4S)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)-1-(4-prop-2-enoxyphenyl)azetidin-2-one
CID 10670168
N-[4-[(2S,3R)-1-(4-methoxyphenyl)-4-oxo-3-(3-phenylpropyl)azetidin-2-yl]phenyl]acetamide
CID 10717429
[(1R)-2-[(2R,3R)-2-(4-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl]-1-phenylethyl] acetate
CID 59894606

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroethyl)-4-(4-methoxyphenyl)-1-phenylazetidin-2-one?
The IUPAC name of 3-(2-chloroethyl)-4-(4-methoxyphenyl)-1-phenylazetidin-2-one (CID 10852860) is 3-(2-chloroethyl)-4-(4-methoxyphenyl)-1-phenylazetidin-2-one.
What is the SMILES notation for 3-(2-chloroethyl)-4-(4-methoxyphenyl)-1-phenylazetidin-2-one?
The canonical SMILES for 3-(2-chloroethyl)-4-(4-methoxyphenyl)-1-phenylazetidin-2-one is COc1ccc(C2C(CCCl)C(=O)N2c2ccccc2)cc1.
What is the InChIKey of 3-(2-chloroethyl)-4-(4-methoxyphenyl)-1-phenylazetidin-2-one?
The InChIKey is DDYLUFAJGVLARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO2/c1-22-15-9-7-13(8-10-15)17-16(11-12-19)18(21)20(17)14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3.
What are the key properties of 3-(2-chloroethyl)-4-(4-methoxyphenyl)-1-phenylazetidin-2-one?
3-(2-chloroethyl)-4-(4-methoxyphenyl)-1-phenylazetidin-2-one has a molecular weight of 315.80 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethyl)-4-(4-methoxyphenyl)-1-phenylazetidin-2-one is sourced from PubChem (CID 10852860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).