methyl 2-(dibenzylamino)-3-(4-fluorophenyl)propanoate

C24H24FNO2 — CID 134946687

IUPACmethyl 2-(dibenzylamino)-3-(4-fluorophenyl)propanoate
SMILESCOC(=O)C(Cc1ccc(F)cc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H24FNO2/c1-28-24(27)23(16-19-12-14-22(25)15-13-19)26(17-20-8-4-2-5-9-20)18-21-10-6-3-7-11-21/h2-15,23H,16-18H2,1H3
InChIKeyBRNLKAOIGCGMLA-UHFFFAOYSA-N
MW377.46 g/mol
LogP4.61
Rot. Bonds8

About methyl 2-(dibenzylamino)-3-(4-fluorophenyl)propanoate

methyl 2-(dibenzylamino)-3-(4-fluorophenyl)propanoate (PubChem CID 134946687) has the molecular formula C24H24FNO2 and a molecular weight of 377.46 g/mol. Its IUPAC name is methyl 2-(dibenzylamino)-3-(4-fluorophenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(dibenzylamino)-3-(4-fluorophenyl)propanoate
PubChem CID134946687
Molecular FormulaC24H24FNO2
Molecular Weight377.46 g/mol
Exact Mass377.18
IUPAC Namemethyl 2-(dibenzylamino)-3-(4-fluorophenyl)propanoate
SMILESCOC(=O)C(Cc1ccc(F)cc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H24FNO2/c1-28-24(27)23(16-19-12-14-22(25)15-13-19)26(17-20-8-4-2-5-9-20)18-21-10-6-3-7-11-21/h2-15,23H,16-18H2,1H3
InChIKeyBRNLKAOIGCGMLA-UHFFFAOYSA-N
XLogP4.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(dibenzylamino)-3-(4-fluorophenyl)propanoate?
The IUPAC name of methyl 2-(dibenzylamino)-3-(4-fluorophenyl)propanoate (CID 134946687) is methyl 2-(dibenzylamino)-3-(4-fluorophenyl)propanoate.
What is the SMILES notation for methyl 2-(dibenzylamino)-3-(4-fluorophenyl)propanoate?
The canonical SMILES for methyl 2-(dibenzylamino)-3-(4-fluorophenyl)propanoate is COC(=O)C(Cc1ccc(F)cc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of methyl 2-(dibenzylamino)-3-(4-fluorophenyl)propanoate?
The InChIKey is BRNLKAOIGCGMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNO2/c1-28-24(27)23(16-19-12-14-22(25)15-13-19)26(17-20-8-4-2-5-9-20)18-21-10-6-3-7-11-21/h2-15,23H,16-18H2,1H3.
What are the key properties of methyl 2-(dibenzylamino)-3-(4-fluorophenyl)propanoate?
methyl 2-(dibenzylamino)-3-(4-fluorophenyl)propanoate has a molecular weight of 377.46 g/mol, XLogP of 4.61, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dibenzylamino)-3-(4-fluorophenyl)propanoate is sourced from PubChem (CID 134946687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).