N-(2-cyanophenyl)benzenecarboximidoyl chloride

C14H9ClN2 — CID 13465821

IUPACN-(2-cyanophenyl)benzenecarboximidoyl chloride
SMILESN#Cc1ccccc1/N=C(\Cl)c1ccccc1
InChIInChI=1S/C14H9ClN2/c15-14(11-6-2-1-3-7-11)17-13-9-5-4-8-12(13)10-16/h1-9H/b17-14-
InChIKeyOIBLTNHFRBPTEQ-VKAVYKQESA-N
MW240.69 g/mol
LogP3.88
Rot. Bonds2

About N-(2-cyanophenyl)benzenecarboximidoyl chloride

N-(2-cyanophenyl)benzenecarboximidoyl chloride (PubChem CID 13465821) has the molecular formula C14H9ClN2 and a molecular weight of 240.69 g/mol. Its IUPAC name is N-(2-cyanophenyl)benzenecarboximidoyl chloride.

Molecular Properties

Compound NameN-(2-cyanophenyl)benzenecarboximidoyl chloride
PubChem CID13465821
Molecular FormulaC14H9ClN2
Molecular Weight240.69 g/mol
Exact Mass240.05
IUPAC NameN-(2-cyanophenyl)benzenecarboximidoyl chloride
SMILESN#Cc1ccccc1/N=C(\Cl)c1ccccc1
InChIInChI=1S/C14H9ClN2/c15-14(11-6-2-1-3-7-11)17-13-9-5-4-8-12(13)10-16/h1-9H/b17-14-
InChIKeyOIBLTNHFRBPTEQ-VKAVYKQESA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-cyanophenyl)imino-3-methylbutanedioic acid
CID 90900411
4,5-bis(benzhydrylideneamino)benzene-1,2-dicarbonitrile
CID 166638263
(NE,E)-N-[chloro(phenyl)methylidene]benzenecarbohydrazonoyl chloride
CID 6141172
(1Z)-N-[(Z)-[chloro(phenyl)methylidene]amino]ethanimidoyl cyanide
CID 135051948
2-[(triphenyl-λ5-phosphanylidene)amino]benzonitrile
CID 4918351
2-(3-cyano-2-methylphenyl)guanidine
CID 174548760
2-(sulfinylamino)benzonitrile
CID 12595709
2-[(2,3-dihydroxyphenyl)methylideneamino]benzonitrile
CID 717751
N-[2,6-di(propan-2-yl)phenyl]benzenecarboximidoyl chloride
CID 22596623
azane;benzene-1,2-dicarbonitrile
CID 141338892
benzene-1,2-dicarbonitrile;tetrahydrofluoride
CID 174356358
benzene-1,2-dicarbonitrile;dihydrochloride
CID 66675666

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)benzenecarboximidoyl chloride?
The IUPAC name of N-(2-cyanophenyl)benzenecarboximidoyl chloride (CID 13465821) is N-(2-cyanophenyl)benzenecarboximidoyl chloride.
What is the SMILES notation for N-(2-cyanophenyl)benzenecarboximidoyl chloride?
The canonical SMILES for N-(2-cyanophenyl)benzenecarboximidoyl chloride is N#Cc1ccccc1/N=C(\Cl)c1ccccc1.
What is the InChIKey of N-(2-cyanophenyl)benzenecarboximidoyl chloride?
The InChIKey is OIBLTNHFRBPTEQ-VKAVYKQESA-N. The full InChI is InChI=1S/C14H9ClN2/c15-14(11-6-2-1-3-7-11)17-13-9-5-4-8-12(13)10-16/h1-9H/b17-14-.
What are the key properties of N-(2-cyanophenyl)benzenecarboximidoyl chloride?
N-(2-cyanophenyl)benzenecarboximidoyl chloride has a molecular weight of 240.69 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)benzenecarboximidoyl chloride is sourced from PubChem (CID 13465821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).