2-fluoro-N-[[(2S,3S,4R)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]benzamide

C24H23FN2O2 — CID 54651880

IUPAC2-fluoro-N-[[(2S,3S,4R)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]benzamide
SMILESO=C(NC[C@H]1N[C@@H](CO)[C@H]1c1ccc(-c2ccccc2)cc1)c1ccccc1F
InChIInChI=1S/C24H23FN2O2/c25-20-9-5-4-8-19(20)24(29)26-14-21-23(22(15-28)27-21)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-13,21-23,27-28H,14-15H2,(H,26,29)/t21-,22+,23+/m1/s1
InChIKeyZXWRXVIFXIEPHJ-VJBWXMMDSA-N
MW390.46 g/mol
LogP3.34
Rot. Bonds6

About 2-fluoro-N-[[(2S,3S,4R)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]benzamide

2-fluoro-N-[[(2S,3S,4R)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]benzamide (PubChem CID 54651880) has the molecular formula C24H23FN2O2 and a molecular weight of 390.46 g/mol. Its IUPAC name is 2-fluoro-N-[[(2S,3S,4R)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[[(2S,3S,4R)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]benzamide
PubChem CID54651880
Molecular FormulaC24H23FN2O2
Molecular Weight390.46 g/mol
Exact Mass390.17
IUPAC Name2-fluoro-N-[[(2S,3S,4R)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]benzamide
SMILESO=C(NC[C@H]1N[C@@H](CO)[C@H]1c1ccc(-c2ccccc2)cc1)c1ccccc1F
InChIInChI=1S/C24H23FN2O2/c25-20-9-5-4-8-19(20)24(29)26-14-21-23(22(15-28)27-21)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-13,21-23,27-28H,14-15H2,(H,26,29)/t21-,22+,23+/m1/s1
InChIKeyZXWRXVIFXIEPHJ-VJBWXMMDSA-N
XLogP3.34
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[(2S,3S,4R)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]benzamide?
The IUPAC name of 2-fluoro-N-[[(2S,3S,4R)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]benzamide (CID 54651880) is 2-fluoro-N-[[(2S,3S,4R)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[[(2S,3S,4R)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]benzamide?
The canonical SMILES for 2-fluoro-N-[[(2S,3S,4R)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]benzamide is O=C(NC[C@H]1N[C@@H](CO)[C@H]1c1ccc(-c2ccccc2)cc1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[[(2S,3S,4R)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]benzamide?
The InChIKey is ZXWRXVIFXIEPHJ-VJBWXMMDSA-N. The full InChI is InChI=1S/C24H23FN2O2/c25-20-9-5-4-8-19(20)24(29)26-14-21-23(22(15-28)27-21)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-13,21-23,27-28H,14-15H2,(H,26,29)/t21-,22+,23+/m1/s1.
What are the key properties of 2-fluoro-N-[[(2S,3S,4R)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]benzamide?
2-fluoro-N-[[(2S,3S,4R)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]benzamide has a molecular weight of 390.46 g/mol, XLogP of 3.34, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[(2S,3S,4R)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]benzamide is sourced from PubChem (CID 54651880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).