benzyl 2-(N-phenylanilino)acetate

C21H19NO2 — CID 91179231

IUPACbenzyl 2-(N-phenylanilino)acetate
SMILESO=C(CN(c1ccccc1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C21H19NO2/c23-21(24-17-18-10-4-1-5-11-18)16-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2
InChIKeyZWPOGYILQPXGKZ-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.57
Rot. Bonds6

About benzyl 2-(N-phenylanilino)acetate

benzyl 2-(N-phenylanilino)acetate (PubChem CID 91179231) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is benzyl 2-(N-phenylanilino)acetate.

Molecular Properties

Compound Namebenzyl 2-(N-phenylanilino)acetate
PubChem CID91179231
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Namebenzyl 2-(N-phenylanilino)acetate
SMILESO=C(CN(c1ccccc1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C21H19NO2/c23-21(24-17-18-10-4-1-5-11-18)16-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2
InChIKeyZWPOGYILQPXGKZ-UHFFFAOYSA-N
XLogP4.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-(N-phenylanilino)acetate?
The IUPAC name of benzyl 2-(N-phenylanilino)acetate (CID 91179231) is benzyl 2-(N-phenylanilino)acetate.
What is the SMILES notation for benzyl 2-(N-phenylanilino)acetate?
The canonical SMILES for benzyl 2-(N-phenylanilino)acetate is O=C(CN(c1ccccc1)c1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl 2-(N-phenylanilino)acetate?
The InChIKey is ZWPOGYILQPXGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c23-21(24-17-18-10-4-1-5-11-18)16-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2.
What are the key properties of benzyl 2-(N-phenylanilino)acetate?
benzyl 2-(N-phenylanilino)acetate has a molecular weight of 317.39 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(N-phenylanilino)acetate is sourced from PubChem (CID 91179231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).