[2-oxo-2-(2-phenylanilino)ethyl] 3-phenoxybenzoate

C27H21NO4 — CID 16521982

IUPAC[2-oxo-2-(2-phenylanilino)ethyl] 3-phenoxybenzoate
SMILESO=C(COC(=O)c1cccc(Oc2ccccc2)c1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C27H21NO4/c29-26(28-25-17-8-7-16-24(25)20-10-3-1-4-11-20)19-31-27(30)21-12-9-15-23(18-21)32-22-13-5-2-6-14-22/h1-18H,19H2,(H,28,29)
InChIKeyATALZVDDDVDTME-UHFFFAOYSA-N
MW423.47 g/mol
LogP5.94
Rot. Bonds7

About [2-oxo-2-(2-phenylanilino)ethyl] 3-phenoxybenzoate

[2-oxo-2-(2-phenylanilino)ethyl] 3-phenoxybenzoate (PubChem CID 16521982) has the molecular formula C27H21NO4 and a molecular weight of 423.47 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylanilino)ethyl] 3-phenoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylanilino)ethyl] 3-phenoxybenzoate
PubChem CID16521982
Molecular FormulaC27H21NO4
Molecular Weight423.47 g/mol
Exact Mass423.15
IUPAC Name[2-oxo-2-(2-phenylanilino)ethyl] 3-phenoxybenzoate
SMILESO=C(COC(=O)c1cccc(Oc2ccccc2)c1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C27H21NO4/c29-26(28-25-17-8-7-16-24(25)20-10-3-1-4-11-20)19-31-27(30)21-12-9-15-23(18-21)32-22-13-5-2-6-14-22/h1-18H,19H2,(H,28,29)
InChIKeyATALZVDDDVDTME-UHFFFAOYSA-N
XLogP5.94
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.47
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-anilino-2-oxoethyl) 3-phenoxybenzoate
CID 2511602
[2-(methylamino)-2-oxoethyl] 3-phenoxybenzoate
CID 2427068
[2-oxo-2-(2-phenylanilino)ethyl] 2-chloroquinoline-6-carboxylate
CID 55730349
[2-oxo-2-(2-phenylanilino)ethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 8791870
[2-oxo-2-(2-phenylanilino)ethyl] 2,6-dimethoxybenzoate
CID 8002666
[2-(3-methylsulfanylanilino)-2-oxoethyl] 3-phenoxybenzoate
CID 16521998
3-(2-amino-2-oxoethoxy)-N-(2-phenylphenyl)benzamide
CID 35743593
2-(3-chlorophenoxy)-N-(2-phenylphenyl)acetamide
CID 7818854
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-phenoxybenzoate
CID 2511439
[2-oxo-2-(2-phenylanilino)ethyl] 1-benzofuran-2-carboxylate
CID 7193648
[2-oxo-2-(2-phenylanilino)ethyl] 4-(dimethylamino)-3-nitrobenzoate
CID 7650375
[2-oxo-2-(2-phenylanilino)ethyl] 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate
CID 16510641

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylanilino)ethyl] 3-phenoxybenzoate?
The IUPAC name of [2-oxo-2-(2-phenylanilino)ethyl] 3-phenoxybenzoate (CID 16521982) is [2-oxo-2-(2-phenylanilino)ethyl] 3-phenoxybenzoate.
What is the SMILES notation for [2-oxo-2-(2-phenylanilino)ethyl] 3-phenoxybenzoate?
The canonical SMILES for [2-oxo-2-(2-phenylanilino)ethyl] 3-phenoxybenzoate is O=C(COC(=O)c1cccc(Oc2ccccc2)c1)Nc1ccccc1-c1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylanilino)ethyl] 3-phenoxybenzoate?
The InChIKey is ATALZVDDDVDTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21NO4/c29-26(28-25-17-8-7-16-24(25)20-10-3-1-4-11-20)19-31-27(30)21-12-9-15-23(18-21)32-22-13-5-2-6-14-22/h1-18H,19H2,(H,28,29).
What are the key properties of [2-oxo-2-(2-phenylanilino)ethyl] 3-phenoxybenzoate?
[2-oxo-2-(2-phenylanilino)ethyl] 3-phenoxybenzoate has a molecular weight of 423.47 g/mol, XLogP of 5.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylanilino)ethyl] 3-phenoxybenzoate is sourced from PubChem (CID 16521982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).