(3R,4S)-3-amino-1-(4-ethoxyphenyl)-4-(2-fluorophenyl)azetidin-2-one

C17H17FN2O2 — CID 124504219

IUPAC(3R,4S)-3-amino-1-(4-ethoxyphenyl)-4-(2-fluorophenyl)azetidin-2-one
SMILESCCOc1ccc(N2C(=O)[C@H](N)[C@@H]2c2ccccc2F)cc1
InChIInChI=1S/C17H17FN2O2/c1-2-22-12-9-7-11(8-10-12)20-16(15(19)17(20)21)13-5-3-4-6-14(13)18/h3-10,15-16H,2,19H2,1H3/t15-,16+/m1/s1
InChIKeyFPTQCFNPYJTLFU-CVEARBPZSA-N
MW300.33 g/mol
LogP2.64
Rot. Bonds4

About (3R,4S)-3-amino-1-(4-ethoxyphenyl)-4-(2-fluorophenyl)azetidin-2-one

(3R,4S)-3-amino-1-(4-ethoxyphenyl)-4-(2-fluorophenyl)azetidin-2-one (PubChem CID 124504219) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is (3R,4S)-3-amino-1-(4-ethoxyphenyl)-4-(2-fluorophenyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-amino-1-(4-ethoxyphenyl)-4-(2-fluorophenyl)azetidin-2-one
PubChem CID124504219
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name(3R,4S)-3-amino-1-(4-ethoxyphenyl)-4-(2-fluorophenyl)azetidin-2-one
SMILESCCOc1ccc(N2C(=O)[C@H](N)[C@@H]2c2ccccc2F)cc1
InChIInChI=1S/C17H17FN2O2/c1-2-22-12-9-7-11(8-10-12)20-16(15(19)17(20)21)13-5-3-4-6-14(13)18/h3-10,15-16H,2,19H2,1H3/t15-,16+/m1/s1
InChIKeyFPTQCFNPYJTLFU-CVEARBPZSA-N
XLogP2.64
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-3-amino-4-(2-fluorophenyl)-1-(4-methylphenyl)azetidin-2-one
CID 124503605
(3R,4R)-3-amino-4-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)azetidin-2-one
CID 124504230
(3S,4R)-3-amino-4-(4-chlorophenyl)-1-(4-ethoxyphenyl)azetidin-2-one
CID 124504213
(3S,4S)-3-amino-1-(4-ethoxyphenyl)-4-(4-methylphenyl)azetidin-2-one
CID 124504187
3-amino-1-(4-ethoxyphenyl)-4-methylazetidin-2-one
CID 112757927
diethyl 1-(4-ethoxyphenyl)-4-(2-fluorophenyl)-4H-pyridine-3,5-dicarboxylate
CID 1335209
(3S,4R)-3-amino-4-(2-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one
CID 124503659
(3S,4R)-3-amino-4-(1,3-benzodioxol-5-yl)-1-(4-ethoxyphenyl)azetidin-2-one
CID 124504201
3-amino-4-(2-chlorophenyl)-1-(4-chlorophenyl)azetidin-2-one
CID 102537060
2-(4-ethoxyphenyl)-3-hydroxy-3H-isoindol-1-one
CID 5309890
4-[(3Z)-3-[(4-ethoxyphenyl)-hydroxymethylidene]-2-(2-fluorophenyl)-4,5-dioxopyrrolidin-1-yl]benzonitrile
CID 108603011
4-(2-chlorophenyl)-5-(4-ethoxyphenyl)-3-phenyl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one
CID 74824330

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-amino-1-(4-ethoxyphenyl)-4-(2-fluorophenyl)azetidin-2-one?
The IUPAC name of (3R,4S)-3-amino-1-(4-ethoxyphenyl)-4-(2-fluorophenyl)azetidin-2-one (CID 124504219) is (3R,4S)-3-amino-1-(4-ethoxyphenyl)-4-(2-fluorophenyl)azetidin-2-one.
What is the SMILES notation for (3R,4S)-3-amino-1-(4-ethoxyphenyl)-4-(2-fluorophenyl)azetidin-2-one?
The canonical SMILES for (3R,4S)-3-amino-1-(4-ethoxyphenyl)-4-(2-fluorophenyl)azetidin-2-one is CCOc1ccc(N2C(=O)[C@H](N)[C@@H]2c2ccccc2F)cc1.
What is the InChIKey of (3R,4S)-3-amino-1-(4-ethoxyphenyl)-4-(2-fluorophenyl)azetidin-2-one?
The InChIKey is FPTQCFNPYJTLFU-CVEARBPZSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-2-22-12-9-7-11(8-10-12)20-16(15(19)17(20)21)13-5-3-4-6-14(13)18/h3-10,15-16H,2,19H2,1H3/t15-,16+/m1/s1.
What are the key properties of (3R,4S)-3-amino-1-(4-ethoxyphenyl)-4-(2-fluorophenyl)azetidin-2-one?
(3R,4S)-3-amino-1-(4-ethoxyphenyl)-4-(2-fluorophenyl)azetidin-2-one has a molecular weight of 300.33 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-amino-1-(4-ethoxyphenyl)-4-(2-fluorophenyl)azetidin-2-one is sourced from PubChem (CID 124504219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).