(2-phenylacetyl) 2-aminobenzoate

C15H13NO3 — CID 157127364

IUPAC(2-phenylacetyl) 2-aminobenzoate
SMILESNc1ccccc1C(=O)OC(=O)Cc1ccccc1
InChIInChI=1S/C15H13NO3/c16-13-9-5-4-8-12(13)15(18)19-14(17)10-11-6-2-1-3-7-11/h1-9H,10,16H2
InChIKeyPKOYCUXZEVECOI-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.19
Rot. Bonds3

About (2-phenylacetyl) 2-aminobenzoate

(2-phenylacetyl) 2-aminobenzoate (PubChem CID 157127364) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is (2-phenylacetyl) 2-aminobenzoate.

Molecular Properties

Compound Name(2-phenylacetyl) 2-aminobenzoate
PubChem CID157127364
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name(2-phenylacetyl) 2-aminobenzoate
SMILESNc1ccccc1C(=O)OC(=O)Cc1ccccc1
InChIInChI=1S/C15H13NO3/c16-13-9-5-4-8-12(13)15(18)19-14(17)10-11-6-2-1-3-7-11/h1-9H,10,16H2
InChIKeyPKOYCUXZEVECOI-UHFFFAOYSA-N
XLogP2.19
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2-phenylacetyl) 3-amino-4-hydroxybenzoate
CID 11708822
hexanoyl 2-aminobenzoate
CID 87304192
(2-phenylacetyl) propanoate
CID 91029268
(2-phenylacetyl) 4-fluorobenzoate
CID 174678547
(2-phenylacetyl) 2-phenylacetate;pyridine
CID 88818246
methylsulfanylmethyl 2-aminobenzoate
CID 67665029
(2-phenylacetyl)oxy 2-phenylethaneperoxoate
CID 87450697
ethyl 2-phenylacetate
CID 7590
tris(2-phenylacetyl) ethane-1,1,1-tricarboxylate
CID 173141327
(2-phenylacetyl) butanoate
CID 54432060
1-ethoxyethenyl 2-phenylacetate
CID 11264222
(4-amino-4-oxobut-1-en-2-yl) 2-phenylacetate
CID 175301597

Frequently Asked Questions

What is the IUPAC name of (2-phenylacetyl) 2-aminobenzoate?
The IUPAC name of (2-phenylacetyl) 2-aminobenzoate (CID 157127364) is (2-phenylacetyl) 2-aminobenzoate.
What is the SMILES notation for (2-phenylacetyl) 2-aminobenzoate?
The canonical SMILES for (2-phenylacetyl) 2-aminobenzoate is Nc1ccccc1C(=O)OC(=O)Cc1ccccc1.
What is the InChIKey of (2-phenylacetyl) 2-aminobenzoate?
The InChIKey is PKOYCUXZEVECOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c16-13-9-5-4-8-12(13)15(18)19-14(17)10-11-6-2-1-3-7-11/h1-9H,10,16H2.
What are the key properties of (2-phenylacetyl) 2-aminobenzoate?
(2-phenylacetyl) 2-aminobenzoate has a molecular weight of 255.27 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylacetyl) 2-aminobenzoate is sourced from PubChem (CID 157127364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).