(4-acetamidophenyl) 2-aminobenzoate

C15H14N2O3 — CID 872399

IUPAC(4-acetamidophenyl) 2-aminobenzoate
SMILESCC(=O)Nc1ccc(OC(=O)c2ccccc2N)cc1
InChIInChI=1S/C15H14N2O3/c1-10(18)17-11-6-8-12(9-7-11)20-15(19)13-4-2-3-5-14(13)16/h2-9H,16H2,1H3,(H,17,18)
InChIKeySFJFZHXIEZODKZ-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.45
Rot. Bonds3

About (4-acetamidophenyl) 2-aminobenzoate

(4-acetamidophenyl) 2-aminobenzoate (PubChem CID 872399) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is (4-acetamidophenyl) 2-aminobenzoate.

Molecular Properties

Compound Name(4-acetamidophenyl) 2-aminobenzoate
PubChem CID872399
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name(4-acetamidophenyl) 2-aminobenzoate
SMILESCC(=O)Nc1ccc(OC(=O)c2ccccc2N)cc1
InChIInChI=1S/C15H14N2O3/c1-10(18)17-11-6-8-12(9-7-11)20-15(19)13-4-2-3-5-14(13)16/h2-9H,16H2,1H3,(H,17,18)
InChIKeySFJFZHXIEZODKZ-UHFFFAOYSA-N
XLogP2.45
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-acetamidophenyl) 2-aminobenzoate?
The IUPAC name of (4-acetamidophenyl) 2-aminobenzoate (CID 872399) is (4-acetamidophenyl) 2-aminobenzoate.
What is the SMILES notation for (4-acetamidophenyl) 2-aminobenzoate?
The canonical SMILES for (4-acetamidophenyl) 2-aminobenzoate is CC(=O)Nc1ccc(OC(=O)c2ccccc2N)cc1.
What is the InChIKey of (4-acetamidophenyl) 2-aminobenzoate?
The InChIKey is SFJFZHXIEZODKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10(18)17-11-6-8-12(9-7-11)20-15(19)13-4-2-3-5-14(13)16/h2-9H,16H2,1H3,(H,17,18).
What are the key properties of (4-acetamidophenyl) 2-aminobenzoate?
(4-acetamidophenyl) 2-aminobenzoate has a molecular weight of 270.29 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamidophenyl) 2-aminobenzoate is sourced from PubChem (CID 872399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).