5-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide

C17H16N2O2 — CID 53329052

IUPAC5-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
SMILESCc1ccc(NC(=O)/C=C/c2ccccc2)c(C(N)=O)c1
InChIInChI=1S/C17H16N2O2/c1-12-7-9-15(14(11-12)17(18)21)19-16(20)10-8-13-5-3-2-4-6-13/h2-11H,1H3,(H2,18,21)(H,19,20)/b10-8+
InChIKeyOQFPJSWMWKUZON-CSKARUKUSA-N
MW280.33 g/mol
LogP2.75
Rot. Bonds4

About 5-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide

5-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide (PubChem CID 53329052) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide.

Molecular Properties

Compound Name5-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
PubChem CID53329052
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name5-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
SMILESCc1ccc(NC(=O)/C=C/c2ccccc2)c(C(N)=O)c1
InChIInChI=1S/C17H16N2O2/c1-12-7-9-15(14(11-12)17(18)21)19-16(20)10-8-13-5-3-2-4-6-13/h2-11H,1H3,(H2,18,21)(H,19,20)/b10-8+
InChIKeyOQFPJSWMWKUZON-CSKARUKUSA-N
XLogP2.75
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide?
The IUPAC name of 5-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide (CID 53329052) is 5-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide.
What is the SMILES notation for 5-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide?
The canonical SMILES for 5-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide is Cc1ccc(NC(=O)/C=C/c2ccccc2)c(C(N)=O)c1.
What is the InChIKey of 5-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide?
The InChIKey is OQFPJSWMWKUZON-CSKARUKUSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-7-9-15(14(11-12)17(18)21)19-16(20)10-8-13-5-3-2-4-6-13/h2-11H,1H3,(H2,18,21)(H,19,20)/b10-8+.
What are the key properties of 5-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide?
5-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide has a molecular weight of 280.33 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide is sourced from PubChem (CID 53329052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).