phenyl 2-acetyl-6-aminobenzoate

C15H13NO3 — CID 58782447

IUPACphenyl 2-acetyl-6-aminobenzoate
SMILESCC(=O)c1cccc(N)c1C(=O)Oc1ccccc1
InChIInChI=1S/C15H13NO3/c1-10(17)12-8-5-9-13(16)14(12)15(18)19-11-6-3-2-4-7-11/h2-9H,16H2,1H3
InChIKeyKXVALKQHUNINJB-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.69
Rot. Bonds3

About phenyl 2-acetyl-6-aminobenzoate

phenyl 2-acetyl-6-aminobenzoate (PubChem CID 58782447) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is phenyl 2-acetyl-6-aminobenzoate.

Molecular Properties

Compound Namephenyl 2-acetyl-6-aminobenzoate
PubChem CID58782447
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Namephenyl 2-acetyl-6-aminobenzoate
SMILESCC(=O)c1cccc(N)c1C(=O)Oc1ccccc1
InChIInChI=1S/C15H13NO3/c1-10(17)12-8-5-9-13(16)14(12)15(18)19-11-6-3-2-4-7-11/h2-9H,16H2,1H3
InChIKeyKXVALKQHUNINJB-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
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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Related Compounds

phenyl 2-acetylbenzoate
CID 102060857
dimethyl 3-aminobenzene-1,2-dicarboxylate
CID 13399384
3-amino-2-ethoxycarbonylbenzoic acid
CID 91873809
diphenyl benzene-1,2-dicarboxylate;trihydroxy(methyl)phosphanium
CID 158752634
phenyl 2,6-di(propan-2-yl)benzoate
CID 175162380
bis(4-aminophenyl) benzene-1,2-dicarboxylate
CID 20517221
diphenyl benzene-1,2-dicarboxylate;phenol
CID 174922398
benzene-1,3-diol;diphenyl benzene-1,2-dicarboxylate
CID 174808310
bis(3-aminophenyl) benzene-1,2-dicarboxylate
CID 140718881
1-(2-amino-3-hydroxyphenyl)ethanone;2-aminophenol
CID 174453955
phenyl 3,4-diaminobenzoate
CID 22184045
phenyl 3,5-diamino-1-methylpyrazole-4-carboxylate
CID 151516178

Frequently Asked Questions

What is the IUPAC name of phenyl 2-acetyl-6-aminobenzoate?
The IUPAC name of phenyl 2-acetyl-6-aminobenzoate (CID 58782447) is phenyl 2-acetyl-6-aminobenzoate.
What is the SMILES notation for phenyl 2-acetyl-6-aminobenzoate?
The canonical SMILES for phenyl 2-acetyl-6-aminobenzoate is CC(=O)c1cccc(N)c1C(=O)Oc1ccccc1.
What is the InChIKey of phenyl 2-acetyl-6-aminobenzoate?
The InChIKey is KXVALKQHUNINJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-10(17)12-8-5-9-13(16)14(12)15(18)19-11-6-3-2-4-7-11/h2-9H,16H2,1H3.
What are the key properties of phenyl 2-acetyl-6-aminobenzoate?
phenyl 2-acetyl-6-aminobenzoate has a molecular weight of 255.27 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-acetyl-6-aminobenzoate is sourced from PubChem (CID 58782447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).