amino 2-benzoylbenzoate

C14H11NO3 — CID 19737509

IUPACamino 2-benzoylbenzoate
SMILESNOC(=O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C14H11NO3/c15-18-14(17)12-9-5-4-8-11(12)13(16)10-6-2-1-3-7-10/h1-9H,15H2
InChIKeyBHOKHWLYQTWVHO-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.95
Rot. Bonds3

About amino 2-benzoylbenzoate

amino 2-benzoylbenzoate (PubChem CID 19737509) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is amino 2-benzoylbenzoate.

Molecular Properties

Compound Nameamino 2-benzoylbenzoate
PubChem CID19737509
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Nameamino 2-benzoylbenzoate
SMILESNOC(=O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C14H11NO3/c15-18-14(17)12-9-5-4-8-11(12)13(16)10-6-2-1-3-7-10/h1-9H,15H2
InChIKeyBHOKHWLYQTWVHO-UHFFFAOYSA-N
XLogP1.95
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methylpropyl 2-benzoylbenzoate
CID 142743650
2-benzoyloxyethyl 2-benzoylbenzoate
CID 2456527
sulfamoyl 2-benzoylbenzoate
CID 174297680
(2-benzoylphenyl)-phenylmethanone;carboxy hydrogen carbonate
CID 173358152
(2-hydroxy-2-iodoethyl) 2-benzoylbenzoate
CID 152866313
2-benzoylbenzoic acid;hydrofluoride
CID 70485904
amino 2-hydroxybenzoate
CID 12598418
tetrakis(2-aminooxycarbonylbenzoate);zirconium(4+)
CID 175454491
(2-aminophenyl)-phenylmethanone
CID 158207972
2-O-amino 1-O-ethyl benzene-1,2-dicarboxylate
CID 154139708
phenacyl 2-(4-chlorobenzoyl)benzoate
CID 2586328
[2-(ethylamino)-2-oxoethyl] 2-benzoylbenzoate
CID 2621635

Frequently Asked Questions

What is the IUPAC name of amino 2-benzoylbenzoate?
The IUPAC name of amino 2-benzoylbenzoate (CID 19737509) is amino 2-benzoylbenzoate.
What is the SMILES notation for amino 2-benzoylbenzoate?
The canonical SMILES for amino 2-benzoylbenzoate is NOC(=O)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of amino 2-benzoylbenzoate?
The InChIKey is BHOKHWLYQTWVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c15-18-14(17)12-9-5-4-8-11(12)13(16)10-6-2-1-3-7-10/h1-9H,15H2.
What are the key properties of amino 2-benzoylbenzoate?
amino 2-benzoylbenzoate has a molecular weight of 241.25 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino 2-benzoylbenzoate is sourced from PubChem (CID 19737509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).