(3S,4R)-3-fluoro-4-(4-methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one

C25H24FNO2 — CID 10644055

IUPAC(3S,4R)-3-fluoro-4-(4-methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one
SMILESCOc1ccc([C@H]2N(c3ccccc3)C(=O)[C@]2(F)CCCc2ccccc2)cc1
InChIInChI=1S/C25H24FNO2/c1-29-22-16-14-20(15-17-22)23-25(26,18-8-11-19-9-4-2-5-10-19)24(28)27(23)21-12-6-3-7-13-21/h2-7,9-10,12-17,23H,8,11,18H2,1H3/t23-,25+/m1/s1
InChIKeyFRCCBNDXBYHCSB-NOZRDPDXSA-N
MW389.47 g/mol
LogP5.51
Rot. Bonds7

About (3S,4R)-3-fluoro-4-(4-methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one

(3S,4R)-3-fluoro-4-(4-methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one (PubChem CID 10644055) has the molecular formula C25H24FNO2 and a molecular weight of 389.47 g/mol. Its IUPAC name is (3S,4R)-3-fluoro-4-(4-methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-fluoro-4-(4-methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one
PubChem CID10644055
Molecular FormulaC25H24FNO2
Molecular Weight389.47 g/mol
Exact Mass389.18
IUPAC Name(3S,4R)-3-fluoro-4-(4-methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one
SMILESCOc1ccc([C@H]2N(c3ccccc3)C(=O)[C@]2(F)CCCc2ccccc2)cc1
InChIInChI=1S/C25H24FNO2/c1-29-22-16-14-20(15-17-22)23-25(26,18-8-11-19-9-4-2-5-10-19)24(28)27(23)21-12-6-3-7-13-21/h2-7,9-10,12-17,23H,8,11,18H2,1H3/t23-,25+/m1/s1
InChIKeyFRCCBNDXBYHCSB-NOZRDPDXSA-N
XLogP5.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.47
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-fluoro-4-(4-methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one?
The IUPAC name of (3S,4R)-3-fluoro-4-(4-methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one (CID 10644055) is (3S,4R)-3-fluoro-4-(4-methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one.
What is the SMILES notation for (3S,4R)-3-fluoro-4-(4-methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one?
The canonical SMILES for (3S,4R)-3-fluoro-4-(4-methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one is COc1ccc([C@H]2N(c3ccccc3)C(=O)[C@]2(F)CCCc2ccccc2)cc1.
What is the InChIKey of (3S,4R)-3-fluoro-4-(4-methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one?
The InChIKey is FRCCBNDXBYHCSB-NOZRDPDXSA-N. The full InChI is InChI=1S/C25H24FNO2/c1-29-22-16-14-20(15-17-22)23-25(26,18-8-11-19-9-4-2-5-10-19)24(28)27(23)21-12-6-3-7-13-21/h2-7,9-10,12-17,23H,8,11,18H2,1H3/t23-,25+/m1/s1.
What are the key properties of (3S,4R)-3-fluoro-4-(4-methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one?
(3S,4R)-3-fluoro-4-(4-methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one has a molecular weight of 389.47 g/mol, XLogP of 5.51, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-fluoro-4-(4-methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one is sourced from PubChem (CID 10644055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).