5-amino-2-[2-(4-chlorophenyl)ethenyl]benzonitrile

C15H11ClN2 — CID 154087264

IUPAC5-amino-2-[2-(4-chlorophenyl)ethenyl]benzonitrile
SMILESN#Cc1cc(N)ccc1C=Cc1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN2/c16-14-6-2-11(3-7-14)1-4-12-5-8-15(18)9-13(12)10-17/h1-9H,18H2
InChIKeyMELLPPCNPHPKFG-UHFFFAOYSA-N
MW254.72 g/mol
LogP3.96
Rot. Bonds2

About 5-amino-2-[2-(4-chlorophenyl)ethenyl]benzonitrile

5-amino-2-[2-(4-chlorophenyl)ethenyl]benzonitrile (PubChem CID 154087264) has the molecular formula C15H11ClN2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 5-amino-2-[2-(4-chlorophenyl)ethenyl]benzonitrile.

Molecular Properties

Compound Name5-amino-2-[2-(4-chlorophenyl)ethenyl]benzonitrile
PubChem CID154087264
Molecular FormulaC15H11ClN2
Molecular Weight254.72 g/mol
Exact Mass254.06
IUPAC Name5-amino-2-[2-(4-chlorophenyl)ethenyl]benzonitrile
SMILESN#Cc1cc(N)ccc1C=Cc1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN2/c16-14-6-2-11(3-7-14)1-4-12-5-8-15(18)9-13(12)10-17/h1-9H,18H2
InChIKeyMELLPPCNPHPKFG-UHFFFAOYSA-N
XLogP3.96
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-(4-chlorophenyl)ethenyl]benzonitrile?
The IUPAC name of 5-amino-2-[2-(4-chlorophenyl)ethenyl]benzonitrile (CID 154087264) is 5-amino-2-[2-(4-chlorophenyl)ethenyl]benzonitrile.
What is the SMILES notation for 5-amino-2-[2-(4-chlorophenyl)ethenyl]benzonitrile?
The canonical SMILES for 5-amino-2-[2-(4-chlorophenyl)ethenyl]benzonitrile is N#Cc1cc(N)ccc1C=Cc1ccc(Cl)cc1.
What is the InChIKey of 5-amino-2-[2-(4-chlorophenyl)ethenyl]benzonitrile?
The InChIKey is MELLPPCNPHPKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2/c16-14-6-2-11(3-7-14)1-4-12-5-8-15(18)9-13(12)10-17/h1-9H,18H2.
What are the key properties of 5-amino-2-[2-(4-chlorophenyl)ethenyl]benzonitrile?
5-amino-2-[2-(4-chlorophenyl)ethenyl]benzonitrile has a molecular weight of 254.72 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2-(4-chlorophenyl)ethenyl]benzonitrile is sourced from PubChem (CID 154087264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).