4-[(2-chlorophenyl)methylideneamino]benzonitrile

C14H9ClN2 — CID 3629787

IUPAC4-[(2-chlorophenyl)methylideneamino]benzonitrile
SMILESN#Cc1ccc(/N=C/c2ccccc2Cl)cc1
InChIInChI=1S/C14H9ClN2/c15-14-4-2-1-3-12(14)10-17-13-7-5-11(9-16)6-8-13/h1-8,10H/b17-10+
InChIKeyLUTCSCDTGRNEDZ-LICLKQGHSA-N
MW240.69 g/mol
LogP3.96
Rot. Bonds2

About 4-[(2-chlorophenyl)methylideneamino]benzonitrile

4-[(2-chlorophenyl)methylideneamino]benzonitrile (PubChem CID 3629787) has the molecular formula C14H9ClN2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methylideneamino]benzonitrile.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methylideneamino]benzonitrile
PubChem CID3629787
Molecular FormulaC14H9ClN2
Molecular Weight240.69 g/mol
Exact Mass240.05
IUPAC Name4-[(2-chlorophenyl)methylideneamino]benzonitrile
SMILESN#Cc1ccc(/N=C/c2ccccc2Cl)cc1
InChIInChI=1S/C14H9ClN2/c15-14-4-2-1-3-12(14)10-17-13-7-5-11(9-16)6-8-13/h1-8,10H/b17-10+
InChIKeyLUTCSCDTGRNEDZ-LICLKQGHSA-N
XLogP3.96
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methylideneamino]benzonitrile?
The IUPAC name of 4-[(2-chlorophenyl)methylideneamino]benzonitrile (CID 3629787) is 4-[(2-chlorophenyl)methylideneamino]benzonitrile.
What is the SMILES notation for 4-[(2-chlorophenyl)methylideneamino]benzonitrile?
The canonical SMILES for 4-[(2-chlorophenyl)methylideneamino]benzonitrile is N#Cc1ccc(/N=C/c2ccccc2Cl)cc1.
What is the InChIKey of 4-[(2-chlorophenyl)methylideneamino]benzonitrile?
The InChIKey is LUTCSCDTGRNEDZ-LICLKQGHSA-N. The full InChI is InChI=1S/C14H9ClN2/c15-14-4-2-1-3-12(14)10-17-13-7-5-11(9-16)6-8-13/h1-8,10H/b17-10+.
What are the key properties of 4-[(2-chlorophenyl)methylideneamino]benzonitrile?
4-[(2-chlorophenyl)methylideneamino]benzonitrile has a molecular weight of 240.69 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methylideneamino]benzonitrile is sourced from PubChem (CID 3629787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).