(2-anilino-2-oxoethyl) 4-hydroxybenzoate

C15H13NO4 — CID 883542

IUPAC(2-anilino-2-oxoethyl) 4-hydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1)Nc1ccccc1
InChIInChI=1S/C15H13NO4/c17-13-8-6-11(7-9-13)15(19)20-10-14(18)16-12-4-2-1-3-5-12/h1-9,17H,10H2,(H,16,18)
InChIKeyTXDKOTCCQNAJEB-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.19
Rot. Bonds4

About (2-anilino-2-oxoethyl) 4-hydroxybenzoate

(2-anilino-2-oxoethyl) 4-hydroxybenzoate (PubChem CID 883542) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 4-hydroxybenzoate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 4-hydroxybenzoate
PubChem CID883542
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name(2-anilino-2-oxoethyl) 4-hydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1)Nc1ccccc1
InChIInChI=1S/C15H13NO4/c17-13-8-6-11(7-9-13)15(19)20-10-14(18)16-12-4-2-1-3-5-12/h1-9,17H,10H2,(H,16,18)
InChIKeyTXDKOTCCQNAJEB-UHFFFAOYSA-N
XLogP2.19
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.19
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) 4-hydroxybenzoate?
The IUPAC name of (2-anilino-2-oxoethyl) 4-hydroxybenzoate (CID 883542) is (2-anilino-2-oxoethyl) 4-hydroxybenzoate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 4-hydroxybenzoate?
The canonical SMILES for (2-anilino-2-oxoethyl) 4-hydroxybenzoate is O=C(COC(=O)c1ccc(O)cc1)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 4-hydroxybenzoate?
The InChIKey is TXDKOTCCQNAJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c17-13-8-6-11(7-9-13)15(19)20-10-14(18)16-12-4-2-1-3-5-12/h1-9,17H,10H2,(H,16,18).
What are the key properties of (2-anilino-2-oxoethyl) 4-hydroxybenzoate?
(2-anilino-2-oxoethyl) 4-hydroxybenzoate has a molecular weight of 271.27 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 4-hydroxybenzoate is sourced from PubChem (CID 883542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).