2-(2-aminobenzoyl)benzoate

C14H10NO3- — CID 6919456

IUPAC2-(2-aminobenzoyl)benzoate
SMILESNc1ccccc1C(=O)c1ccccc1C(=O)[O-]
InChIInChI=1S/C14H11NO3/c15-12-8-4-3-7-11(12)13(16)9-5-1-2-6-10(9)14(17)18/h1-8H,15H2,(H,17,18)/p-1
InChIKeyKORKIRUGUNPQML-UHFFFAOYSA-M
MW240.24 g/mol
LogP0.86
Rot. Bonds3

About 2-(2-aminobenzoyl)benzoate

2-(2-aminobenzoyl)benzoate (PubChem CID 6919456) has the molecular formula C14H10NO3- and a molecular weight of 240.24 g/mol. Its IUPAC name is 2-(2-aminobenzoyl)benzoate.

Molecular Properties

Compound Name2-(2-aminobenzoyl)benzoate
PubChem CID6919456
Molecular FormulaC14H10NO3-
Molecular Weight240.24 g/mol
Exact Mass240.07
IUPAC Name2-(2-aminobenzoyl)benzoate
SMILESNc1ccccc1C(=O)c1ccccc1C(=O)[O-]
InChIInChI=1S/C14H11NO3/c15-12-8-4-3-7-11(12)13(16)9-5-1-2-6-10(9)14(17)18/h1-8H,15H2,(H,17,18)/p-1
InChIKeyKORKIRUGUNPQML-UHFFFAOYSA-M
XLogP0.86
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-aminobenzoate
CID 5459842
pentakis(lead(2+));phthalate
CID 173427098
disilver;phthalate
CID 21449237
trimagnesium;phthalate
CID 142758668
lead(2+) dihydride;phthalate
CID 155293254
nickel(2+);phthalate
CID 15798393
2-aminobenzoate;ethylazanium
CID 160595326
dibismuth;phthalate;urea
CID 161346860
methyl 2-(2-aminobenzoyl)benzoate
CID 83381352
disodium;hydron;phthalate
CID 23089010
bis(lead(2+));phthalate;dihydroxide
CID 102446618
(2-aminophenyl)-phenylmethanone
CID 158207972

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobenzoyl)benzoate?
The IUPAC name of 2-(2-aminobenzoyl)benzoate (CID 6919456) is 2-(2-aminobenzoyl)benzoate.
What is the SMILES notation for 2-(2-aminobenzoyl)benzoate?
The canonical SMILES for 2-(2-aminobenzoyl)benzoate is Nc1ccccc1C(=O)c1ccccc1C(=O)[O-].
What is the InChIKey of 2-(2-aminobenzoyl)benzoate?
The InChIKey is KORKIRUGUNPQML-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H11NO3/c15-12-8-4-3-7-11(12)13(16)9-5-1-2-6-10(9)14(17)18/h1-8H,15H2,(H,17,18)/p-1.
What are the key properties of 2-(2-aminobenzoyl)benzoate?
2-(2-aminobenzoyl)benzoate has a molecular weight of 240.24 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobenzoyl)benzoate is sourced from PubChem (CID 6919456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).