(3R,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(2-fluorophenyl)azetidin-2-one

C18H19FN2O3 — CID 124503237

IUPAC(3R,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(2-fluorophenyl)azetidin-2-one
SMILESCOc1ccc(CN2C(=O)[C@H](N)[C@H]2c2ccccc2F)cc1OC
InChIInChI=1S/C18H19FN2O3/c1-23-14-8-7-11(9-15(14)24-2)10-21-17(16(20)18(21)22)12-5-3-4-6-13(12)19/h3-9,16-17H,10,20H2,1-2H3/t16-,17-/m1/s1
InChIKeySOENEXQQPULRFT-IAGOWNOFSA-N
MW330.36 g/mol
LogP2.25
Rot. Bonds5

About (3R,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(2-fluorophenyl)azetidin-2-one

(3R,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(2-fluorophenyl)azetidin-2-one (PubChem CID 124503237) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is (3R,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(2-fluorophenyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(2-fluorophenyl)azetidin-2-one
PubChem CID124503237
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name(3R,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(2-fluorophenyl)azetidin-2-one
SMILESCOc1ccc(CN2C(=O)[C@H](N)[C@H]2c2ccccc2F)cc1OC
InChIInChI=1S/C18H19FN2O3/c1-23-14-8-7-11(9-15(14)24-2)10-21-17(16(20)18(21)22)12-5-3-4-6-13(12)19/h3-9,16-17H,10,20H2,1-2H3/t16-,17-/m1/s1
InChIKeySOENEXQQPULRFT-IAGOWNOFSA-N
XLogP2.25
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]azetidin-2-one
CID 102536846
(3S,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(4-methylphenyl)azetidin-2-one
CID 124503191
(3R,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(4-methylphenyl)azetidin-2-one
CID 124503193
3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(furan-2-yl)azetidin-2-one
CID 70575146
(3R,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(5-methylfuran-2-yl)azetidin-2-one
CID 124503214
(2S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluorophenyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one
CID 94073057
(3R,4S)-3-amino-1-benzyl-4-(2-chlorophenyl)azetidin-2-one
CID 124504268
(3aR,6aS)-3-[(3,4-dimethoxyphenyl)methyl]-5-[(2-fluorophenyl)methyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one
CID 133115140
2-benzyl-3-[4-(3,4-dimethoxyphenyl)-2-fluorophenyl]-7-methyl-3a,6,7,7a-tetrahydro-3H-isoindol-1-one
CID 24868103
(2R)-3-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 1153217
(2R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluorophenyl)-3-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 94073499
(3R,4S)-3-amino-1-benzyl-4-(2,4-dichlorophenyl)azetidin-2-one
CID 124504287

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(2-fluorophenyl)azetidin-2-one?
The IUPAC name of (3R,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(2-fluorophenyl)azetidin-2-one (CID 124503237) is (3R,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(2-fluorophenyl)azetidin-2-one.
What is the SMILES notation for (3R,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(2-fluorophenyl)azetidin-2-one?
The canonical SMILES for (3R,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(2-fluorophenyl)azetidin-2-one is COc1ccc(CN2C(=O)[C@H](N)[C@H]2c2ccccc2F)cc1OC.
What is the InChIKey of (3R,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(2-fluorophenyl)azetidin-2-one?
The InChIKey is SOENEXQQPULRFT-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-23-14-8-7-11(9-15(14)24-2)10-21-17(16(20)18(21)22)12-5-3-4-6-13(12)19/h3-9,16-17H,10,20H2,1-2H3/t16-,17-/m1/s1.
What are the key properties of (3R,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(2-fluorophenyl)azetidin-2-one?
(3R,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(2-fluorophenyl)azetidin-2-one has a molecular weight of 330.36 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(2-fluorophenyl)azetidin-2-one is sourced from PubChem (CID 124503237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).