anilino benzoate

C13H11NO2 — CID 12916139

IUPACanilino benzoate
SMILESO=C(ONc1ccccc1)c1ccccc1
InChIInChI=1S/C13H11NO2/c15-13(11-7-3-1-4-8-11)16-14-12-9-5-2-6-10-12/h1-10,14H
InChIKeyHSHDLZHPPQLBEY-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.87
Rot. Bonds3

About anilino benzoate

anilino benzoate (PubChem CID 12916139) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is anilino benzoate.

Molecular Properties

Compound Nameanilino benzoate
PubChem CID12916139
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Nameanilino benzoate
SMILESO=C(ONc1ccccc1)c1ccccc1
InChIInChI=1S/C13H11NO2/c15-13(11-7-3-1-4-8-11)16-14-12-9-5-2-6-10-12/h1-10,14H
InChIKeyHSHDLZHPPQLBEY-UHFFFAOYSA-N
XLogP2.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of anilino benzoate?
The IUPAC name of anilino benzoate (CID 12916139) is anilino benzoate.
What is the SMILES notation for anilino benzoate?
The canonical SMILES for anilino benzoate is O=C(ONc1ccccc1)c1ccccc1.
What is the InChIKey of anilino benzoate?
The InChIKey is HSHDLZHPPQLBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c15-13(11-7-3-1-4-8-11)16-14-12-9-5-2-6-10-12/h1-10,14H.
What are the key properties of anilino benzoate?
anilino benzoate has a molecular weight of 213.24 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for anilino benzoate is sourced from PubChem (CID 12916139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).