(2-anilino-2-oxoethyl) 3-phenoxybenzoate

C21H17NO4 — CID 2511602

IUPAC(2-anilino-2-oxoethyl) 3-phenoxybenzoate
SMILESO=C(COC(=O)c1cccc(Oc2ccccc2)c1)Nc1ccccc1
InChIInChI=1S/C21H17NO4/c23-20(22-17-9-3-1-4-10-17)15-25-21(24)16-8-7-13-19(14-16)26-18-11-5-2-6-12-18/h1-14H,15H2,(H,22,23)
InChIKeyWGASNRQHWKVREK-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.27
Rot. Bonds6

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

(2-anilino-2-oxoethyl) 3-phenoxybenzoate (PubChem CID 2511602) has the molecular formula C21H17NO4 and a molecular weight of 347.37 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 3-phenoxybenzoate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 3-phenoxybenzoate
PubChem CID2511602
Molecular FormulaC21H17NO4
Molecular Weight347.37 g/mol
Exact Mass347.12
IUPAC Name(2-anilino-2-oxoethyl) 3-phenoxybenzoate
SMILESO=C(COC(=O)c1cccc(Oc2ccccc2)c1)Nc1ccccc1
InChIInChI=1S/C21H17NO4/c23-20(22-17-9-3-1-4-10-17)15-25-21(24)16-8-7-13-19(14-16)26-18-11-5-2-6-12-18/h1-14H,15H2,(H,22,23)
InChIKeyWGASNRQHWKVREK-UHFFFAOYSA-N
XLogP4.27
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-methylsulfanylanilino)-2-oxoethyl] 3-phenoxybenzoate
CID 16521998
[2-(methylamino)-2-oxoethyl] 3-phenoxybenzoate
CID 2427068
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-phenoxybenzoate
CID 17259515
[2-oxo-2-(3-phenoxyanilino)ethyl] 4-iodobenzoate
CID 2388758
[2-oxo-2-(4-phenoxyanilino)ethyl] 3-(cyclopropanecarbonylamino)benzoate
CID 32959940
[2-oxo-2-(2-phenylanilino)ethyl] 3-phenoxybenzoate
CID 16521982
(2-anilino-2-oxoethyl) 3-acetylbenzoate
CID 46860675
[2-oxo-2-(3-phenoxyanilino)ethyl] 4-(trifluoromethyl)benzoate
CID 2427103
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-(carbamoylamino)benzoate
CID 2527993
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-hydroxybenzoate
CID 2387838
[2-oxo-2-(4-phenoxyanilino)ethyl] 3-(1,3-dioxoisoindol-2-yl)benzoate
CID 2436928
[2-oxo-2-(3-phenoxyanilino)ethyl] 5-bromopyridine-3-carboxylate
CID 16523043

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 3-phenoxybenzoate?
The IUPAC name of (2-anilino-2-oxoethyl) 3-phenoxybenzoate (CID 2511602) is (2-anilino-2-oxoethyl) 3-phenoxybenzoate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 3-phenoxybenzoate?
The canonical SMILES for (2-anilino-2-oxoethyl) 3-phenoxybenzoate is O=C(COC(=O)c1cccc(Oc2ccccc2)c1)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 3-phenoxybenzoate?
The InChIKey is WGASNRQHWKVREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO4/c23-20(22-17-9-3-1-4-10-17)15-25-21(24)16-8-7-13-19(14-16)26-18-11-5-2-6-12-18/h1-14H,15H2,(H,22,23).
What are the key properties of (2-anilino-2-oxoethyl) 3-phenoxybenzoate?
(2-anilino-2-oxoethyl) 3-phenoxybenzoate has a molecular weight of 347.37 g/mol, XLogP of 4.27, 6 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-phenoxybenzoate is sourced from PubChem (CID 2511602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).