4-(4-aminophenyl)-3-(4-chlorophenoxy)-1-(4-ethoxyphenyl)azetidin-2-one

C23H21ClN2O3 — CID 71534361

IUPAC4-(4-aminophenyl)-3-(4-chlorophenoxy)-1-(4-ethoxyphenyl)azetidin-2-one
SMILESCCOc1ccc(N2C(=O)C(Oc3ccc(Cl)cc3)C2c2ccc(N)cc2)cc1
InChIInChI=1S/C23H21ClN2O3/c1-2-28-19-13-9-18(10-14-19)26-21(15-3-7-17(25)8-4-15)22(23(26)27)29-20-11-5-16(24)6-12-20/h3-14,21-22H,2,25H2,1H3
InChIKeyYCBNVIMEWPGGHR-UHFFFAOYSA-N
MW408.89 g/mol
LogP4.86
Rot. Bonds6

About 4-(4-aminophenyl)-3-(4-chlorophenoxy)-1-(4-ethoxyphenyl)azetidin-2-one

4-(4-aminophenyl)-3-(4-chlorophenoxy)-1-(4-ethoxyphenyl)azetidin-2-one (PubChem CID 71534361) has the molecular formula C23H21ClN2O3 and a molecular weight of 408.89 g/mol. Its IUPAC name is 4-(4-aminophenyl)-3-(4-chlorophenoxy)-1-(4-ethoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name4-(4-aminophenyl)-3-(4-chlorophenoxy)-1-(4-ethoxyphenyl)azetidin-2-one
PubChem CID71534361
Molecular FormulaC23H21ClN2O3
Molecular Weight408.89 g/mol
Exact Mass408.12
IUPAC Name4-(4-aminophenyl)-3-(4-chlorophenoxy)-1-(4-ethoxyphenyl)azetidin-2-one
SMILESCCOc1ccc(N2C(=O)C(Oc3ccc(Cl)cc3)C2c2ccc(N)cc2)cc1
InChIInChI=1S/C23H21ClN2O3/c1-2-28-19-13-9-18(10-14-19)26-21(15-3-7-17(25)8-4-15)22(23(26)27)29-20-11-5-16(24)6-12-20/h3-14,21-22H,2,25H2,1H3
InChIKeyYCBNVIMEWPGGHR-UHFFFAOYSA-N
XLogP4.86
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S,4R)-3-amino-4-(4-chlorophenyl)-1-(4-ethoxyphenyl)azetidin-2-one
CID 124504213
4-(4-aminophenyl)-1-(4-methylphenyl)-3-phenoxyazetidin-2-one
CID 12509595
(3R,4S)-3-(4-chlorophenoxy)-1-(4-ethoxyphenyl)-4-[(4-ethoxyphenyl)iminomethyl]azetidin-2-one
CID 92661024
(3S,4S)-3-amino-1-(4-ethoxyphenyl)-4-(4-methylphenyl)azetidin-2-one
CID 124504187
(3R,4S)-3-(4-hydroxyphenoxy)-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 102273363
(3S,4R)-3-(4-hydroxyphenoxy)-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 102273364
(3R,4R)-3-amino-4-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)azetidin-2-one
CID 124504230
(3S,3aS,6aR)-3-(4-chlorophenyl)-5-(4-ethoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 100883843
(3R,3aS,6aS)-3-(4-chlorophenyl)-5-(4-ethoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 6586740
(3S,4R)-3-amino-1,4-bis(4-chlorophenyl)azetidin-2-one
CID 124504103
(4E)-1-(4-chlorophenyl)-5-(4-ethoxyphenyl)-4-[(4-ethoxyphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione
CID 108674976
(2S,3S)-3-(4-chlorophenoxy)-1-(4-methoxyphenyl)-4-oxoazetidine-2-carbaldehyde
CID 15866249

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-3-(4-chlorophenoxy)-1-(4-ethoxyphenyl)azetidin-2-one?
The IUPAC name of 4-(4-aminophenyl)-3-(4-chlorophenoxy)-1-(4-ethoxyphenyl)azetidin-2-one (CID 71534361) is 4-(4-aminophenyl)-3-(4-chlorophenoxy)-1-(4-ethoxyphenyl)azetidin-2-one.
What is the SMILES notation for 4-(4-aminophenyl)-3-(4-chlorophenoxy)-1-(4-ethoxyphenyl)azetidin-2-one?
The canonical SMILES for 4-(4-aminophenyl)-3-(4-chlorophenoxy)-1-(4-ethoxyphenyl)azetidin-2-one is CCOc1ccc(N2C(=O)C(Oc3ccc(Cl)cc3)C2c2ccc(N)cc2)cc1.
What is the InChIKey of 4-(4-aminophenyl)-3-(4-chlorophenoxy)-1-(4-ethoxyphenyl)azetidin-2-one?
The InChIKey is YCBNVIMEWPGGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O3/c1-2-28-19-13-9-18(10-14-19)26-21(15-3-7-17(25)8-4-15)22(23(26)27)29-20-11-5-16(24)6-12-20/h3-14,21-22H,2,25H2,1H3.
What are the key properties of 4-(4-aminophenyl)-3-(4-chlorophenoxy)-1-(4-ethoxyphenyl)azetidin-2-one?
4-(4-aminophenyl)-3-(4-chlorophenoxy)-1-(4-ethoxyphenyl)azetidin-2-one has a molecular weight of 408.89 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-3-(4-chlorophenoxy)-1-(4-ethoxyphenyl)azetidin-2-one is sourced from PubChem (CID 71534361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).