benzyl (2R)-2-(benzhydrylamino)-3-(difluoromethoxy)propanoate

C24H23F2NO3 — CID 141168729

IUPACbenzyl (2R)-2-(benzhydrylamino)-3-(difluoromethoxy)propanoate
SMILESO=C(OCc1ccccc1)[C@@H](COC(F)F)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23F2NO3/c25-24(26)30-17-21(23(28)29-16-18-10-4-1-5-11-18)27-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21-22,24,27H,16-17H2/t21-/m1/s1
InChIKeyUAFKESSJXOLJJF-OAQYLSRUSA-N
MW411.45 g/mol
LogP4.72
Rot. Bonds10

About benzyl (2R)-2-(benzhydrylamino)-3-(difluoromethoxy)propanoate

benzyl (2R)-2-(benzhydrylamino)-3-(difluoromethoxy)propanoate (PubChem CID 141168729) has the molecular formula C24H23F2NO3 and a molecular weight of 411.45 g/mol. Its IUPAC name is benzyl (2R)-2-(benzhydrylamino)-3-(difluoromethoxy)propanoate.

Molecular Properties

Compound Namebenzyl (2R)-2-(benzhydrylamino)-3-(difluoromethoxy)propanoate
PubChem CID141168729
Molecular FormulaC24H23F2NO3
Molecular Weight411.45 g/mol
Exact Mass411.16
IUPAC Namebenzyl (2R)-2-(benzhydrylamino)-3-(difluoromethoxy)propanoate
SMILESO=C(OCc1ccccc1)[C@@H](COC(F)F)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23F2NO3/c25-24(26)30-17-21(23(28)29-16-18-10-4-1-5-11-18)27-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21-22,24,27H,16-17H2/t21-/m1/s1
InChIKeyUAFKESSJXOLJJF-OAQYLSRUSA-N
XLogP4.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-(benzhydrylamino)-3-(difluoromethoxy)propanoate?
The IUPAC name of benzyl (2R)-2-(benzhydrylamino)-3-(difluoromethoxy)propanoate (CID 141168729) is benzyl (2R)-2-(benzhydrylamino)-3-(difluoromethoxy)propanoate.
What is the SMILES notation for benzyl (2R)-2-(benzhydrylamino)-3-(difluoromethoxy)propanoate?
The canonical SMILES for benzyl (2R)-2-(benzhydrylamino)-3-(difluoromethoxy)propanoate is O=C(OCc1ccccc1)[C@@H](COC(F)F)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of benzyl (2R)-2-(benzhydrylamino)-3-(difluoromethoxy)propanoate?
The InChIKey is UAFKESSJXOLJJF-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H23F2NO3/c25-24(26)30-17-21(23(28)29-16-18-10-4-1-5-11-18)27-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21-22,24,27H,16-17H2/t21-/m1/s1.
What are the key properties of benzyl (2R)-2-(benzhydrylamino)-3-(difluoromethoxy)propanoate?
benzyl (2R)-2-(benzhydrylamino)-3-(difluoromethoxy)propanoate has a molecular weight of 411.45 g/mol, XLogP of 4.72, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-(benzhydrylamino)-3-(difluoromethoxy)propanoate is sourced from PubChem (CID 141168729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).