2-[N-but-3-enyl-C-(2-chlorophenyl)carbonimidoyl]-4-chlorophenol

C17H15Cl2NO — CID 3069395

IUPAC2-[N-but-3-enyl-C-(2-chlorophenyl)carbonimidoyl]-4-chlorophenol
SMILESC=CCC/N=C(/c1cc(Cl)ccc1O)c1ccccc1Cl
InChIInChI=1S/C17H15Cl2NO/c1-2-3-10-20-17(13-6-4-5-7-15(13)19)14-11-12(18)8-9-16(14)21/h2,4-9,11,21H,1,3,10H2/b20-17+
InChIKeySJDANKNJDQEWFO-LVZFUZTISA-N
MW320.22 g/mol
LogP5.11
Rot. Bonds5

About 2-[N-but-3-enyl-C-(2-chlorophenyl)carbonimidoyl]-4-chlorophenol

2-[N-but-3-enyl-C-(2-chlorophenyl)carbonimidoyl]-4-chlorophenol (PubChem CID 3069395) has the molecular formula C17H15Cl2NO and a molecular weight of 320.22 g/mol. Its IUPAC name is 2-[N-but-3-enyl-C-(2-chlorophenyl)carbonimidoyl]-4-chlorophenol.

Molecular Properties

Compound Name2-[N-but-3-enyl-C-(2-chlorophenyl)carbonimidoyl]-4-chlorophenol
PubChem CID3069395
Molecular FormulaC17H15Cl2NO
Molecular Weight320.22 g/mol
Exact Mass319.05
IUPAC Name2-[N-but-3-enyl-C-(2-chlorophenyl)carbonimidoyl]-4-chlorophenol
SMILESC=CCC/N=C(/c1cc(Cl)ccc1O)c1ccccc1Cl
InChIInChI=1S/C17H15Cl2NO/c1-2-3-10-20-17(13-6-4-5-7-15(13)19)14-11-12(18)8-9-16(14)21/h2,4-9,11,21H,1,3,10H2/b20-17+
InChIKeySJDANKNJDQEWFO-LVZFUZTISA-N
XLogP5.11
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.22
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[N-but-3-enyl-C-(2-chlorophenyl)carbonimidoyl]-4-chlorophenol?
The IUPAC name of 2-[N-but-3-enyl-C-(2-chlorophenyl)carbonimidoyl]-4-chlorophenol (CID 3069395) is 2-[N-but-3-enyl-C-(2-chlorophenyl)carbonimidoyl]-4-chlorophenol.
What is the SMILES notation for 2-[N-but-3-enyl-C-(2-chlorophenyl)carbonimidoyl]-4-chlorophenol?
The canonical SMILES for 2-[N-but-3-enyl-C-(2-chlorophenyl)carbonimidoyl]-4-chlorophenol is C=CCC/N=C(/c1cc(Cl)ccc1O)c1ccccc1Cl.
What is the InChIKey of 2-[N-but-3-enyl-C-(2-chlorophenyl)carbonimidoyl]-4-chlorophenol?
The InChIKey is SJDANKNJDQEWFO-LVZFUZTISA-N. The full InChI is InChI=1S/C17H15Cl2NO/c1-2-3-10-20-17(13-6-4-5-7-15(13)19)14-11-12(18)8-9-16(14)21/h2,4-9,11,21H,1,3,10H2/b20-17+.
What are the key properties of 2-[N-but-3-enyl-C-(2-chlorophenyl)carbonimidoyl]-4-chlorophenol?
2-[N-but-3-enyl-C-(2-chlorophenyl)carbonimidoyl]-4-chlorophenol has a molecular weight of 320.22 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-but-3-enyl-C-(2-chlorophenyl)carbonimidoyl]-4-chlorophenol is sourced from PubChem (CID 3069395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).