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

C15H13FN2O — CID 124503328

IUPAC(3R,4S)-3-amino-1-(4-fluorophenyl)-4-phenylazetidin-2-one
SMILESN[C@H]1C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1
InChIInChI=1S/C15H13FN2O/c16-11-6-8-12(9-7-11)18-14(13(17)15(18)19)10-4-2-1-3-5-10/h1-9,13-14H,17H2/t13-,14+/m1/s1
InChIKeyWYYXBPDQRSEFSN-KGLIPLIRSA-N
MW256.28 g/mol
LogP2.24
Rot. Bonds2

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

(3R,4S)-3-amino-1-(4-fluorophenyl)-4-phenylazetidin-2-one (PubChem CID 124503328) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is (3R,4S)-3-amino-1-(4-fluorophenyl)-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-amino-1-(4-fluorophenyl)-4-phenylazetidin-2-one
PubChem CID124503328
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name(3R,4S)-3-amino-1-(4-fluorophenyl)-4-phenylazetidin-2-one
SMILESN[C@H]1C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1
InChIInChI=1S/C15H13FN2O/c16-11-6-8-12(9-7-11)18-14(13(17)15(18)19)10-4-2-1-3-5-10/h1-9,13-14H,17H2/t13-,14+/m1/s1
InChIKeyWYYXBPDQRSEFSN-KGLIPLIRSA-N
XLogP2.24
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-3-amino-1-(4-fluorophenyl)-4-thiophen-2-ylazetidin-2-one
CID 124503336
(3S,4R)-3-amino-1-(4-fluorophenyl)-4-(furan-2-yl)azetidin-2-one
CID 124503350
4-(4-fluorophenyl)-1-(4-iodophenyl)-3-phenylazetidin-2-one
CID 15159091
(3S,4R)-3-amino-1,4-bis(4-chlorophenyl)azetidin-2-one
CID 124504103
3-amino-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 12545415
(3S,4R)-3-amino-4-(4-ethylphenyl)-1-phenylazetidin-2-one
CID 124503509
(3S,4R)-3-amino-1-(4-fluorophenyl)-4-[(E)-2-phenylethenyl]azetidin-2-one
CID 102450032
(3R,4R)-3-amino-4-(4-bromophenyl)-1-(3-fluorophenyl)azetidin-2-one
CID 124503749
(3R,4R)-3-amino-4-(3-chlorophenyl)-1-(4-chlorophenyl)azetidin-2-one
CID 124504101
(3R,4S)-3-hydroxy-1,4-diphenylazetidin-2-one
CID 11424956
(3R,4R)-3-amino-4-(2-fluorophenyl)-1-(4-methylphenyl)azetidin-2-one
CID 124503605
(3aR,4R,7S,7aS)-2-(4-fluorophenyl)-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 7238002

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-amino-1-(4-fluorophenyl)-4-phenylazetidin-2-one?
The IUPAC name of (3R,4S)-3-amino-1-(4-fluorophenyl)-4-phenylazetidin-2-one (CID 124503328) is (3R,4S)-3-amino-1-(4-fluorophenyl)-4-phenylazetidin-2-one.
What is the SMILES notation for (3R,4S)-3-amino-1-(4-fluorophenyl)-4-phenylazetidin-2-one?
The canonical SMILES for (3R,4S)-3-amino-1-(4-fluorophenyl)-4-phenylazetidin-2-one is N[C@H]1C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1.
What is the InChIKey of (3R,4S)-3-amino-1-(4-fluorophenyl)-4-phenylazetidin-2-one?
The InChIKey is WYYXBPDQRSEFSN-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H13FN2O/c16-11-6-8-12(9-7-11)18-14(13(17)15(18)19)10-4-2-1-3-5-10/h1-9,13-14H,17H2/t13-,14+/m1/s1.
What are the key properties of (3R,4S)-3-amino-1-(4-fluorophenyl)-4-phenylazetidin-2-one?
(3R,4S)-3-amino-1-(4-fluorophenyl)-4-phenylazetidin-2-one has a molecular weight of 256.28 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-amino-1-(4-fluorophenyl)-4-phenylazetidin-2-one is sourced from PubChem (CID 124503328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).