benzyl 3-(dibenzylamino)-2-fluoropropanoate

C24H24FNO2 — CID 12835765

IUPACbenzyl 3-(dibenzylamino)-2-fluoropropanoate
SMILESO=C(OCc1ccccc1)C(F)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H24FNO2/c25-23(24(27)28-19-22-14-8-3-9-15-22)18-26(16-20-10-4-1-5-11-20)17-21-12-6-2-7-13-21/h1-15,23H,16-19H2
InChIKeyLWZWKAWTHAMCLH-UHFFFAOYSA-N
MW377.46 g/mol
LogP4.77
Rot. Bonds9

About benzyl 3-(dibenzylamino)-2-fluoropropanoate

benzyl 3-(dibenzylamino)-2-fluoropropanoate (PubChem CID 12835765) has the molecular formula C24H24FNO2 and a molecular weight of 377.46 g/mol. Its IUPAC name is benzyl 3-(dibenzylamino)-2-fluoropropanoate.

Molecular Properties

Compound Namebenzyl 3-(dibenzylamino)-2-fluoropropanoate
PubChem CID12835765
Molecular FormulaC24H24FNO2
Molecular Weight377.46 g/mol
Exact Mass377.18
IUPAC Namebenzyl 3-(dibenzylamino)-2-fluoropropanoate
SMILESO=C(OCc1ccccc1)C(F)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H24FNO2/c25-23(24(27)28-19-22-14-8-3-9-15-22)18-26(16-20-10-4-1-5-11-20)17-21-12-6-2-7-13-21/h1-15,23H,16-19H2
InChIKeyLWZWKAWTHAMCLH-UHFFFAOYSA-N
XLogP4.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 3-(dibenzylamino)-2-fluoropropanoate?
The IUPAC name of benzyl 3-(dibenzylamino)-2-fluoropropanoate (CID 12835765) is benzyl 3-(dibenzylamino)-2-fluoropropanoate.
What is the SMILES notation for benzyl 3-(dibenzylamino)-2-fluoropropanoate?
The canonical SMILES for benzyl 3-(dibenzylamino)-2-fluoropropanoate is O=C(OCc1ccccc1)C(F)CN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of benzyl 3-(dibenzylamino)-2-fluoropropanoate?
The InChIKey is LWZWKAWTHAMCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNO2/c25-23(24(27)28-19-22-14-8-3-9-15-22)18-26(16-20-10-4-1-5-11-20)17-21-12-6-2-7-13-21/h1-15,23H,16-19H2.
What are the key properties of benzyl 3-(dibenzylamino)-2-fluoropropanoate?
benzyl 3-(dibenzylamino)-2-fluoropropanoate has a molecular weight of 377.46 g/mol, XLogP of 4.77, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(dibenzylamino)-2-fluoropropanoate is sourced from PubChem (CID 12835765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).