3-[(E)-2-(4-chlorophenyl)ethenyl]-4-cyanobenzamide

C16H11ClN2O — CID 23141418

IUPAC3-[(E)-2-(4-chlorophenyl)ethenyl]-4-cyanobenzamide
SMILESN#Cc1ccc(C(N)=O)cc1/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClN2O/c17-15-7-2-11(3-8-15)1-4-12-9-13(16(19)20)5-6-14(12)10-18/h1-9H,(H2,19,20)/b4-1+
InChIKeyOAQJXOBNQQIUHJ-DAFODLJHSA-N
MW282.73 g/mol
LogP3.48
Rot. Bonds3

About 3-[(E)-2-(4-chlorophenyl)ethenyl]-4-cyanobenzamide

3-[(E)-2-(4-chlorophenyl)ethenyl]-4-cyanobenzamide (PubChem CID 23141418) has the molecular formula C16H11ClN2O and a molecular weight of 282.73 g/mol. Its IUPAC name is 3-[(E)-2-(4-chlorophenyl)ethenyl]-4-cyanobenzamide.

Molecular Properties

Compound Name3-[(E)-2-(4-chlorophenyl)ethenyl]-4-cyanobenzamide
PubChem CID23141418
Molecular FormulaC16H11ClN2O
Molecular Weight282.73 g/mol
Exact Mass282.06
IUPAC Name3-[(E)-2-(4-chlorophenyl)ethenyl]-4-cyanobenzamide
SMILESN#Cc1ccc(C(N)=O)cc1/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClN2O/c17-15-7-2-11(3-8-15)1-4-12-9-13(16(19)20)5-6-14(12)10-18/h1-9H,(H2,19,20)/b4-1+
InChIKeyOAQJXOBNQQIUHJ-DAFODLJHSA-N
XLogP3.48
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-3-[(E)-2-(4-chlorophenyl)ethenyl]benzamide
CID 23141518
4-[2-(5-chloro-2-cyanophenyl)ethenyl]benzenediazonium
CID 57110541
5-amino-2-[2-(4-chlorophenyl)ethenyl]benzonitrile
CID 154087264
3-cyano-4-fluorobenzamide
CID 68505906
4-chloro(13C)benzamide
CID 175798194
4-chlorobenzamide
CID 12084
4-bromo-3-[(E)-2-(4-chlorophenyl)ethenyl]benzoic acid
CID 23141451
CID 88944737
CID 88944737
4-(4-chloro-2-cyanophenoxy)benzamide
CID 62493065
3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]benzonitrile
CID 52643863
3-[2-(4-fluorophenyl)ethenyl]-4-methoxybenzamide
CID 67002282
3-[(E)-2-(4-bromophenyl)ethenyl]-4-methoxybenzamide
CID 23141385

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-chlorophenyl)ethenyl]-4-cyanobenzamide?
The IUPAC name of 3-[(E)-2-(4-chlorophenyl)ethenyl]-4-cyanobenzamide (CID 23141418) is 3-[(E)-2-(4-chlorophenyl)ethenyl]-4-cyanobenzamide.
What is the SMILES notation for 3-[(E)-2-(4-chlorophenyl)ethenyl]-4-cyanobenzamide?
The canonical SMILES for 3-[(E)-2-(4-chlorophenyl)ethenyl]-4-cyanobenzamide is N#Cc1ccc(C(N)=O)cc1/C=C/c1ccc(Cl)cc1.
What is the InChIKey of 3-[(E)-2-(4-chlorophenyl)ethenyl]-4-cyanobenzamide?
The InChIKey is OAQJXOBNQQIUHJ-DAFODLJHSA-N. The full InChI is InChI=1S/C16H11ClN2O/c17-15-7-2-11(3-8-15)1-4-12-9-13(16(19)20)5-6-14(12)10-18/h1-9H,(H2,19,20)/b4-1+.
What are the key properties of 3-[(E)-2-(4-chlorophenyl)ethenyl]-4-cyanobenzamide?
3-[(E)-2-(4-chlorophenyl)ethenyl]-4-cyanobenzamide has a molecular weight of 282.73 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-chlorophenyl)ethenyl]-4-cyanobenzamide is sourced from PubChem (CID 23141418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).