[2-(4-acetylanilino)-2-oxoethyl] 2-anilinobenzoate

C23H20N2O4 — CID 2465640

IUPAC[2-(4-acetylanilino)-2-oxoethyl] 2-anilinobenzoate
SMILESCC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2Nc2ccccc2)cc1
InChIInChI=1S/C23H20N2O4/c1-16(26)17-11-13-19(14-12-17)25-22(27)15-29-23(28)20-9-5-6-10-21(20)24-18-7-3-2-4-8-18/h2-14,24H,15H2,1H3,(H,25,27)
InChIKeyAAJIOFUVLXKEJB-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.43
Rot. Bonds7

About [2-(4-acetylanilino)-2-oxoethyl] 2-anilinobenzoate

[2-(4-acetylanilino)-2-oxoethyl] 2-anilinobenzoate (PubChem CID 2465640) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is [2-(4-acetylanilino)-2-oxoethyl] 2-anilinobenzoate.

Molecular Properties

Compound Name[2-(4-acetylanilino)-2-oxoethyl] 2-anilinobenzoate
PubChem CID2465640
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name[2-(4-acetylanilino)-2-oxoethyl] 2-anilinobenzoate
SMILESCC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2Nc2ccccc2)cc1
InChIInChI=1S/C23H20N2O4/c1-16(26)17-11-13-19(14-12-17)25-22(27)15-29-23(28)20-9-5-6-10-21(20)24-18-7-3-2-4-8-18/h2-14,24H,15H2,1H3,(H,25,27)
InChIKeyAAJIOFUVLXKEJB-UHFFFAOYSA-N
XLogP4.43
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-acetylanilino)-2-oxoethyl] 2-anilinobenzoate?
The IUPAC name of [2-(4-acetylanilino)-2-oxoethyl] 2-anilinobenzoate (CID 2465640) is [2-(4-acetylanilino)-2-oxoethyl] 2-anilinobenzoate.
What is the SMILES notation for [2-(4-acetylanilino)-2-oxoethyl] 2-anilinobenzoate?
The canonical SMILES for [2-(4-acetylanilino)-2-oxoethyl] 2-anilinobenzoate is CC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2Nc2ccccc2)cc1.
What is the InChIKey of [2-(4-acetylanilino)-2-oxoethyl] 2-anilinobenzoate?
The InChIKey is AAJIOFUVLXKEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-16(26)17-11-13-19(14-12-17)25-22(27)15-29-23(28)20-9-5-6-10-21(20)24-18-7-3-2-4-8-18/h2-14,24H,15H2,1H3,(H,25,27).
What are the key properties of [2-(4-acetylanilino)-2-oxoethyl] 2-anilinobenzoate?
[2-(4-acetylanilino)-2-oxoethyl] 2-anilinobenzoate has a molecular weight of 388.42 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetylanilino)-2-oxoethyl] 2-anilinobenzoate is sourced from PubChem (CID 2465640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).