N-[(Z)-1-(4-bromophenyl)-3-oxo-3-phenylprop-1-enyl]acetamide

C17H14BrNO2 — CID 135029630

IUPACN-[(Z)-1-(4-bromophenyl)-3-oxo-3-phenylprop-1-enyl]acetamide
SMILESCC(=O)N/C(=C\C(=O)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C17H14BrNO2/c1-12(20)19-16(13-7-9-15(18)10-8-13)11-17(21)14-5-3-2-4-6-14/h2-11H,1H3,(H,19,20)/b16-11-
InChIKeyPSINDJNVMLHBDW-WJDWOHSUSA-N
MW344.21 g/mol
LogP3.81
Rot. Bonds4

About N-[(Z)-1-(4-bromophenyl)-3-oxo-3-phenylprop-1-enyl]acetamide

N-[(Z)-1-(4-bromophenyl)-3-oxo-3-phenylprop-1-enyl]acetamide (PubChem CID 135029630) has the molecular formula C17H14BrNO2 and a molecular weight of 344.21 g/mol. Its IUPAC name is N-[(Z)-1-(4-bromophenyl)-3-oxo-3-phenylprop-1-enyl]acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-bromophenyl)-3-oxo-3-phenylprop-1-enyl]acetamide
PubChem CID135029630
Molecular FormulaC17H14BrNO2
Molecular Weight344.21 g/mol
Exact Mass343.02
IUPAC NameN-[(Z)-1-(4-bromophenyl)-3-oxo-3-phenylprop-1-enyl]acetamide
SMILESCC(=O)N/C(=C\C(=O)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C17H14BrNO2/c1-12(20)19-16(13-7-9-15(18)10-8-13)11-17(21)14-5-3-2-4-6-14/h2-11H,1H3,(H,19,20)/b16-11-
InChIKeyPSINDJNVMLHBDW-WJDWOHSUSA-N
XLogP3.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(Z)-1-(4-bromophenyl)-3-oxo-3-phenylprop-1-enyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(4-bromophenyl)-2-oxoethyl]-2-fluorobenzamide
CID 2798239
n-Benzyl-4-bromobenzamide
CID 781117
4-bromo-N-phenylbenzamide
CID 690966
4-bromo-N-(4-phenylbutyl)benzamide
CID 2057443
N-(4-{[3-(4-bromophenyl)-3-oxo-1-propen-1-yl]amino}phenyl)acetamide
CID 2267567
4-bromo-N-(4-phenylbutan-2-yl)benzamide
CID 2903019
3-[3-(4-bromophenyl)-2-methylacryloyl]-4,6-dimethyl-2(1H)-pyridinone
CID 5339155
N-[3-[benzyl(methyl)amino]propyl]-4-bromobenzamide
CID 9049339
4-bromo-N-phenacylbenzamide
CID 732474
3-Bromo-N-(1-phenylethyl)benzamide
CID 603182
N-[1-(4-bromophenyl)ethyl]benzamide
CID 2854121
4-bromo-N-[3-(propionylamino)phenyl]benzamide
CID 4197877

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-bromophenyl)-3-oxo-3-phenylprop-1-enyl]acetamide?
The IUPAC name of N-[(Z)-1-(4-bromophenyl)-3-oxo-3-phenylprop-1-enyl]acetamide (CID 135029630) is N-[(Z)-1-(4-bromophenyl)-3-oxo-3-phenylprop-1-enyl]acetamide.
What is the SMILES notation for N-[(Z)-1-(4-bromophenyl)-3-oxo-3-phenylprop-1-enyl]acetamide?
The canonical SMILES for N-[(Z)-1-(4-bromophenyl)-3-oxo-3-phenylprop-1-enyl]acetamide is CC(=O)N/C(=C\C(=O)c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of N-[(Z)-1-(4-bromophenyl)-3-oxo-3-phenylprop-1-enyl]acetamide?
The InChIKey is PSINDJNVMLHBDW-WJDWOHSUSA-N. The full InChI is InChI=1S/C17H14BrNO2/c1-12(20)19-16(13-7-9-15(18)10-8-13)11-17(21)14-5-3-2-4-6-14/h2-11H,1H3,(H,19,20)/b16-11-.
What are the key properties of N-[(Z)-1-(4-bromophenyl)-3-oxo-3-phenylprop-1-enyl]acetamide?
N-[(Z)-1-(4-bromophenyl)-3-oxo-3-phenylprop-1-enyl]acetamide has a molecular weight of 344.21 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-bromophenyl)-3-oxo-3-phenylprop-1-enyl]acetamide is sourced from PubChem (CID 135029630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).