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

C25H24FNO2 — CID 10668069

IUPAC(3R,4S)-1-(4-fluorophenyl)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one
SMILESCOc1ccc([C@@H]2[C@@H](CCCc3ccccc3)C(=O)N2c2ccc(F)cc2)cc1
InChIInChI=1S/C25H24FNO2/c1-29-22-16-10-19(11-17-22)24-23(9-5-8-18-6-3-2-4-7-18)25(28)27(24)21-14-12-20(26)13-15-21/h2-4,6-7,10-17,23-24H,5,8-9H2,1H3/t23-,24-/m1/s1
InChIKeySSGNAQHRJIBVFG-DNQXCXABSA-N
MW389.47 g/mol
LogP5.56
Rot. Bonds7

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

(3R,4S)-1-(4-fluorophenyl)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one (PubChem CID 10668069) has the molecular formula C25H24FNO2 and a molecular weight of 389.47 g/mol. Its IUPAC name is (3R,4S)-1-(4-fluorophenyl)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1-(4-fluorophenyl)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one
PubChem CID10668069
Molecular FormulaC25H24FNO2
Molecular Weight389.47 g/mol
Exact Mass389.18
IUPAC Name(3R,4S)-1-(4-fluorophenyl)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one
SMILESCOc1ccc([C@@H]2[C@@H](CCCc3ccccc3)C(=O)N2c2ccc(F)cc2)cc1
InChIInChI=1S/C25H24FNO2/c1-29-22-16-10-19(11-17-22)24-23(9-5-8-18-6-3-2-4-7-18)25(28)27(24)21-14-12-20(26)13-15-21/h2-4,6-7,10-17,23-24H,5,8-9H2,1H3/t23-,24-/m1/s1
InChIKeySSGNAQHRJIBVFG-DNQXCXABSA-N
XLogP5.56
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 ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-(4-fluorophenyl)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one?
The IUPAC name of (3R,4S)-1-(4-fluorophenyl)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one (CID 10668069) is (3R,4S)-1-(4-fluorophenyl)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one.
What is the SMILES notation for (3R,4S)-1-(4-fluorophenyl)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one?
The canonical SMILES for (3R,4S)-1-(4-fluorophenyl)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one is COc1ccc([C@@H]2[C@@H](CCCc3ccccc3)C(=O)N2c2ccc(F)cc2)cc1.
What is the InChIKey of (3R,4S)-1-(4-fluorophenyl)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one?
The InChIKey is SSGNAQHRJIBVFG-DNQXCXABSA-N. The full InChI is InChI=1S/C25H24FNO2/c1-29-22-16-10-19(11-17-22)24-23(9-5-8-18-6-3-2-4-7-18)25(28)27(24)21-14-12-20(26)13-15-21/h2-4,6-7,10-17,23-24H,5,8-9H2,1H3/t23-,24-/m1/s1.
What are the key properties of (3R,4S)-1-(4-fluorophenyl)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one?
(3R,4S)-1-(4-fluorophenyl)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one has a molecular weight of 389.47 g/mol, XLogP of 5.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-(4-fluorophenyl)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one is sourced from PubChem (CID 10668069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).