(2-anilino-2-oxoethyl) 2-anilinobenzoate

C21H18N2O3 — CID 2348438

IUPAC(2-anilino-2-oxoethyl) 2-anilinobenzoate
SMILESO=C(COC(=O)c1ccccc1Nc1ccccc1)Nc1ccccc1
InChIInChI=1S/C21H18N2O3/c24-20(23-17-11-5-2-6-12-17)15-26-21(25)18-13-7-8-14-19(18)22-16-9-3-1-4-10-16/h1-14,22H,15H2,(H,23,24)
InChIKeyGHIIANVHNHRYIX-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.23
Rot. Bonds6

About (2-anilino-2-oxoethyl) 2-anilinobenzoate

(2-anilino-2-oxoethyl) 2-anilinobenzoate (PubChem CID 2348438) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 2-anilinobenzoate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 2-anilinobenzoate
PubChem CID2348438
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name(2-anilino-2-oxoethyl) 2-anilinobenzoate
SMILESO=C(COC(=O)c1ccccc1Nc1ccccc1)Nc1ccccc1
InChIInChI=1S/C21H18N2O3/c24-20(23-17-11-5-2-6-12-17)15-26-21(25)18-13-7-8-14-19(18)22-16-9-3-1-4-10-16/h1-14,22H,15H2,(H,23,24)
InChIKeyGHIIANVHNHRYIX-UHFFFAOYSA-N
XLogP4.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 2-anilinobenzoate?
The IUPAC name of (2-anilino-2-oxoethyl) 2-anilinobenzoate (CID 2348438) is (2-anilino-2-oxoethyl) 2-anilinobenzoate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 2-anilinobenzoate?
The canonical SMILES for (2-anilino-2-oxoethyl) 2-anilinobenzoate is O=C(COC(=O)c1ccccc1Nc1ccccc1)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 2-anilinobenzoate?
The InChIKey is GHIIANVHNHRYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c24-20(23-17-11-5-2-6-12-17)15-26-21(25)18-13-7-8-14-19(18)22-16-9-3-1-4-10-16/h1-14,22H,15H2,(H,23,24).
What are the key properties of (2-anilino-2-oxoethyl) 2-anilinobenzoate?
(2-anilino-2-oxoethyl) 2-anilinobenzoate has a molecular weight of 346.39 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 2-anilinobenzoate is sourced from PubChem (CID 2348438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).