(E)-N-(3-bromophenyl)-3-phenylprop-2-enamide

C15H12BrNO — CID 874919

IUPAC(E)-N-(3-bromophenyl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1cccc(Br)c1
InChIInChI=1S/C15H12BrNO/c16-13-7-4-8-14(11-13)17-15(18)10-9-12-5-2-1-3-6-12/h1-11H,(H,17,18)/b10-9+
InChIKeyIHWKXVBHNSPIGD-MDZDMXLPSA-N
MW302.17 g/mol
LogP4.10
Rot. Bonds3

About (E)-N-(3-bromophenyl)-3-phenylprop-2-enamide

(E)-N-(3-bromophenyl)-3-phenylprop-2-enamide (PubChem CID 874919) has the molecular formula C15H12BrNO and a molecular weight of 302.17 g/mol. Its IUPAC name is (E)-N-(3-bromophenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-bromophenyl)-3-phenylprop-2-enamide
PubChem CID874919
Molecular FormulaC15H12BrNO
Molecular Weight302.17 g/mol
Exact Mass301.01
IUPAC Name(E)-N-(3-bromophenyl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1cccc(Br)c1
InChIInChI=1S/C15H12BrNO/c16-13-7-4-8-14(11-13)17-15(18)10-9-12-5-2-1-3-6-12/h1-11H,(H,17,18)/b10-9+
InChIKeyIHWKXVBHNSPIGD-MDZDMXLPSA-N
XLogP4.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-N-(3-bromophenyl)-3-phenylprop-2-enamide 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 (E)-N-(3-bromophenyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(3-bromophenyl)-3-phenylprop-2-enamide (CID 874919) is (E)-N-(3-bromophenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(3-bromophenyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(3-bromophenyl)-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)Nc1cccc(Br)c1.
What is the InChIKey of (E)-N-(3-bromophenyl)-3-phenylprop-2-enamide?
The InChIKey is IHWKXVBHNSPIGD-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H12BrNO/c16-13-7-4-8-14(11-13)17-15(18)10-9-12-5-2-1-3-6-12/h1-11H,(H,17,18)/b10-9+.
What are the key properties of (E)-N-(3-bromophenyl)-3-phenylprop-2-enamide?
(E)-N-(3-bromophenyl)-3-phenylprop-2-enamide has a molecular weight of 302.17 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-bromophenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 874919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).