3-[2-(2-aminobenzoyl)phenyl]-2-methylprop-2-enamide

C17H16N2O2 — CID 73431531

IUPAC3-[2-(2-aminobenzoyl)phenyl]-2-methylprop-2-enamide
SMILESCC(=Cc1ccccc1C(=O)c1ccccc1N)C(N)=O
InChIInChI=1S/C17H16N2O2/c1-11(17(19)21)10-12-6-2-3-7-13(12)16(20)14-8-4-5-9-15(14)18/h2-10H,18H2,1H3,(H2,19,21)
InChIKeyJEDHBLBZAPPFKD-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.39
Rot. Bonds4

About 3-[2-(2-aminobenzoyl)phenyl]-2-methylprop-2-enamide

3-[2-(2-aminobenzoyl)phenyl]-2-methylprop-2-enamide (PubChem CID 73431531) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-[2-(2-aminobenzoyl)phenyl]-2-methylprop-2-enamide.

Molecular Properties

Compound Name3-[2-(2-aminobenzoyl)phenyl]-2-methylprop-2-enamide
PubChem CID73431531
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name3-[2-(2-aminobenzoyl)phenyl]-2-methylprop-2-enamide
SMILESCC(=Cc1ccccc1C(=O)c1ccccc1N)C(N)=O
InChIInChI=1S/C17H16N2O2/c1-11(17(19)21)10-12-6-2-3-7-13(12)16(20)14-8-4-5-9-15(14)18/h2-10H,18H2,1H3,(H2,19,21)
InChIKeyJEDHBLBZAPPFKD-UHFFFAOYSA-N
XLogP2.39
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminobenzoyl)phenyl]-2-methylprop-2-enamide?
The IUPAC name of 3-[2-(2-aminobenzoyl)phenyl]-2-methylprop-2-enamide (CID 73431531) is 3-[2-(2-aminobenzoyl)phenyl]-2-methylprop-2-enamide.
What is the SMILES notation for 3-[2-(2-aminobenzoyl)phenyl]-2-methylprop-2-enamide?
The canonical SMILES for 3-[2-(2-aminobenzoyl)phenyl]-2-methylprop-2-enamide is CC(=Cc1ccccc1C(=O)c1ccccc1N)C(N)=O.
What is the InChIKey of 3-[2-(2-aminobenzoyl)phenyl]-2-methylprop-2-enamide?
The InChIKey is JEDHBLBZAPPFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11(17(19)21)10-12-6-2-3-7-13(12)16(20)14-8-4-5-9-15(14)18/h2-10H,18H2,1H3,(H2,19,21).
What are the key properties of 3-[2-(2-aminobenzoyl)phenyl]-2-methylprop-2-enamide?
3-[2-(2-aminobenzoyl)phenyl]-2-methylprop-2-enamide has a molecular weight of 280.33 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminobenzoyl)phenyl]-2-methylprop-2-enamide is sourced from PubChem (CID 73431531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).