(2-anilino-2-oxoethyl) 3-acetylbenzoate

C17H15NO4 — CID 46860675

IUPAC(2-anilino-2-oxoethyl) 3-acetylbenzoate
SMILESCC(=O)c1cccc(C(=O)OCC(=O)Nc2ccccc2)c1
InChIInChI=1S/C17H15NO4/c1-12(19)13-6-5-7-14(10-13)17(21)22-11-16(20)18-15-8-3-2-4-9-15/h2-10H,11H2,1H3,(H,18,20)
InChIKeyVZVJCXRQGVZAQM-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.68
Rot. Bonds5

About (2-anilino-2-oxoethyl) 3-acetylbenzoate

(2-anilino-2-oxoethyl) 3-acetylbenzoate (PubChem CID 46860675) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 3-acetylbenzoate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 3-acetylbenzoate
PubChem CID46860675
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name(2-anilino-2-oxoethyl) 3-acetylbenzoate
SMILESCC(=O)c1cccc(C(=O)OCC(=O)Nc2ccccc2)c1
InChIInChI=1S/C17H15NO4/c1-12(19)13-6-5-7-14(10-13)17(21)22-11-16(20)18-15-8-3-2-4-9-15/h2-10H,11H2,1H3,(H,18,20)
InChIKeyVZVJCXRQGVZAQM-UHFFFAOYSA-N
XLogP2.68
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-acetylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582150
[2-(4-acetamidoanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582447
[2-(4-carbamoylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582351
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3-acetylbenzoate
CID 46860713
[2-(3-acetylanilino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 8520707
(2-anilino-2-oxoethyl) 3-phenoxybenzoate
CID 2511602
[2-(4-acetylanilino)-2-oxoethyl] 3-fluorobenzoate
CID 2427007
[2-(3-acetylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 2538231
[2-(3-acetylanilino)-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561869
[2-(3-acetylanilino)-2-oxoethyl] 4-(phenoxymethyl)benzoate
CID 7239796
[2-(4-methoxyanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582238
[2-(3-acetylanilino)-2-oxoethyl] 4-formylbenzoate
CID 2504471

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 3-acetylbenzoate?
The IUPAC name of (2-anilino-2-oxoethyl) 3-acetylbenzoate (CID 46860675) is (2-anilino-2-oxoethyl) 3-acetylbenzoate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 3-acetylbenzoate?
The canonical SMILES for (2-anilino-2-oxoethyl) 3-acetylbenzoate is CC(=O)c1cccc(C(=O)OCC(=O)Nc2ccccc2)c1.
What is the InChIKey of (2-anilino-2-oxoethyl) 3-acetylbenzoate?
The InChIKey is VZVJCXRQGVZAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-12(19)13-6-5-7-14(10-13)17(21)22-11-16(20)18-15-8-3-2-4-9-15/h2-10H,11H2,1H3,(H,18,20).
What are the key properties of (2-anilino-2-oxoethyl) 3-acetylbenzoate?
(2-anilino-2-oxoethyl) 3-acetylbenzoate has a molecular weight of 297.31 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 3-acetylbenzoate is sourced from PubChem (CID 46860675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).